4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide

C17H17ClN2O3S — CID 166375464

IUPAC4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
SMILESCC1CC(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21
InChIInChI=1S/C17H17ClN2O3S/c1-11-9-17(21)20(2)16-8-5-13(10-15(11)16)19-24(22,23)14-6-3-12(18)4-7-14/h3-8,10-11,19H,9H2,1-2H3
InChIKeyBCVOVBPKTFOMAV-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.61
Rot. Bonds3

About 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide

4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide (PubChem CID 166375464) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
PubChem CID166375464
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
SMILESCC1CC(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21
InChIInChI=1S/C17H17ClN2O3S/c1-11-9-17(21)20(2)16-8-5-13(10-15(11)16)19-24(22,23)14-6-3-12(18)4-7-14/h3-8,10-11,19H,9H2,1-2H3
InChIKeyBCVOVBPKTFOMAV-UHFFFAOYSA-N
XLogP3.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-fluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570718
4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721833
N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383269
4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635998
1-methyl-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-oxo-3H-indole-5-sulfonamide
CID 110406005
4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927551
N-(3-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383219
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide
CID 10287501
4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 973584
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide (CID 166375464) is 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide is CC1CC(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21.
What is the InChIKey of 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The InChIKey is BCVOVBPKTFOMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-11-9-17(21)20(2)16-8-5-13(10-15(11)16)19-24(22,23)14-6-3-12(18)4-7-14/h3-8,10-11,19H,9H2,1-2H3.
What are the key properties of 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 166375464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).