Compounds

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
99.40

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4177098

Name:
4-Chloro-2,5-dimethyl-N-(quinolin-8-yl)benzenesulfonamide

Mol. Formula:
C17H15ClN2O2S

M.W.:
346.84

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4175700

Name:
Quinolin-8-yl 4-nitrobenzenesulfonate

Mol. Formula:
C15H10N2O5S

M.W.:
330.32

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
99.40

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4175552

Name:
4-Chloro-2,5-dimethyl-N-(quinolin-5-yl)benzenesulfonamide

Mol. Formula:
C17H15ClN2O2S

M.W.:
346.84

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4174351

Name:
2,4-Dichloro-N-(quinolin-3-yl)benzenesulfonamide

Mol. Formula:
C15H10Cl2N2O2S

M.W.:
353.23

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4173736

Name:
4-propyl-N-(quinolin-5-yl)benzenesulfonamide

Mol. Formula:
C18H18N2O2S

M.W.:
326.42

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4173659

Name:
3,4-Dimethoxy-N-(quinolin-5-yl)benzenesulfonamide

Mol. Formula:
C17H16N2O4S

M.W.:
344.39

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
77.52

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4172395

Name:
3-Nitro-N-(quinolin-3-yl)benzenesulfonamide

Mol. Formula:
C15H11N3O4S

M.W.:
329.34

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
102.20

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4172107

Name:
3,5-Dichloro-2-hydroxy-N-(quinolin-5-yl)benzenesulfonamide

Mol. Formula:
C15H10Cl2N2O3S

M.W.:
369.23

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
79.29

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4171503

Name:
Quinolin-8-yl 2-nitrobenzenesulfonate

Mol. Formula:
C15H10N2O5S

M.W.:
330.32

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
99.40

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4169346

Name:
5-Bromo-2-methoxy(quinolin-8-yl)benzenesulfonate

Mol. Formula:
C16H12BrNO4S

M.W.:
394.25

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
65.49

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4168164

Name:
Quinolin-8-yl 4-chloro-2,5-dimethylbenzenesulfonate

Mol. Formula:
C17H14ClNO3S

M.W.:
347.82

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
56.26

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4167843

Name:
Quinolin-8-yl 2,4-dichlorobenzenesulfonate

Mol. Formula:
C15H9Cl2NO3S

M.W.:
354.21

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
56.26

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4167683

Name:
2,4-Dichloro-N-(quinolin-5-yl)benzenesulfonamide

Mol. Formula:
C15H10Cl2N2O2S

M.W.:
353.23

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4166475

Name:
3-Nitro-N-(quinolin-8-yl)benzenesulfonamide

Mol. Formula:
C15H11N3O4S

M.W.:
329.34

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
102.20

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4165915

Name:
N-(quinolin-3-yl)octane-1-sulfonamide

Mol. Formula:
C17H24N2O2S

M.W.:
320.46

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4165742

Name:
5-Bromo-2-methoxy-N-(quinolin-5-yl)benzenesulfonamide

Mol. Formula:
C16H13BrN2O3S

M.W.:
393.26

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
68.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4165502

Name:
4-Propyl-N-(quinolin-3-yl)benzenesulfonamide

Mol. Formula:
C18H18N2O2S

M.W.:
326.42

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4165343

Name:
2,5-Dichloro-N-(quinolin-5-yl)benzenesulfonamide

Mol. Formula:
C15H10Cl2N2O2S

M.W.:
353.23

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4164234

Name:
3-Nitro-N-(quinolin-5-yl)benzenesulfonamide

Mol. Formula:
C15H11N3O4S

M.W.:
329.34