2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide

C25H22ClN3O3S — CID 74763767

IUPAC2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide
SMILESCN(C)c1ccc2nc(-c3cccc(NC(=O)c4ccc(S(C)(=O)=O)cc4Cl)c3)ccc2c1
InChIInChI=1S/C25H22ClN3O3S/c1-29(2)19-8-12-24-17(14-19)7-11-23(28-24)16-5-4-6-18(13-16)27-25(30)21-10-9-20(15-22(21)26)33(3,31)32/h4-15H,1-3H3,(H,27,30)
InChIKeyGKNGTOLIYVZRMS-UHFFFAOYSA-N
MW479.99 g/mol
LogP5.28
Rot. Bonds5

About 2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide

2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide (PubChem CID 74763767) has the molecular formula C25H22ClN3O3S and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide
PubChem CID74763767
Molecular FormulaC25H22ClN3O3S
Molecular Weight479.99 g/mol
Exact Mass479.11
IUPAC Name2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide
SMILESCN(C)c1ccc2nc(-c3cccc(NC(=O)c4ccc(S(C)(=O)=O)cc4Cl)c3)ccc2c1
InChIInChI=1S/C25H22ClN3O3S/c1-29(2)19-8-12-24-17(14-19)7-11-23(28-24)16-5-4-6-18(13-16)27-25(30)21-10-9-20(15-22(21)26)33(3,31)32/h4-15H,1-3H3,(H,27,30)
InChIKeyGKNGTOLIYVZRMS-UHFFFAOYSA-N
XLogP5.28
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.99
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-[6-(diethylaminomethyl)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 74762772
2-chloro-4-methylsulfonyl-N-[3-[6-(piperidin-1-ylmethyl)quinolin-2-yl]phenyl]benzamide
CID 74763695
2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide
CID 50914465
N-[3-(1-benzothiophen-2-yl)phenyl]-2-chloro-4-methylsulfonylbenzamide
CID 142392205
2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide
CID 141358125
4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide
CID 74763620
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78792274
2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide
CID 121004678
2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide
CID 23938449
2-bromo-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide
CID 123457501
1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea
CID 142392133
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide
CID 58006484

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide (CID 74763767) is 2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide is CN(C)c1ccc2nc(-c3cccc(NC(=O)c4ccc(S(C)(=O)=O)cc4Cl)c3)ccc2c1.
What is the InChIKey of 2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide?
The InChIKey is GKNGTOLIYVZRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3S/c1-29(2)19-8-12-24-17(14-19)7-11-23(28-24)16-5-4-6-18(13-16)27-25(30)21-10-9-20(15-22(21)26)33(3,31)32/h4-15H,1-3H3,(H,27,30).
What are the key properties of 2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide?
2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide has a molecular weight of 479.99 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[6-(dimethylamino)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 74763767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).