2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide

C16H13Cl2N3O2S — CID 86657925

IUPAC2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide
SMILESCc1cc2nc(Cl)c(NS(=O)(=O)c3ccccc3Cl)nc2cc1C
InChIInChI=1S/C16H13Cl2N3O2S/c1-9-7-12-13(8-10(9)2)20-16(15(18)19-12)21-24(22,23)14-6-4-3-5-11(14)17/h3-8H,1-2H3,(H,20,21)
InChIKeyWCHOGKQQQNUPEE-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.35
Rot. Bonds3

About 2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide

2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide (PubChem CID 86657925) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide
PubChem CID86657925
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC Name2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide
SMILESCc1cc2nc(Cl)c(NS(=O)(=O)c3ccccc3Cl)nc2cc1C
InChIInChI=1S/C16H13Cl2N3O2S/c1-9-7-12-13(8-10(9)2)20-16(15(18)19-12)21-24(22,23)14-6-4-3-5-11(14)17/h3-8H,1-2H3,(H,20,21)
InChIKeyWCHOGKQQQNUPEE-UHFFFAOYSA-N
XLogP4.35
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-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

2,3-dichloro-N-(3-chloro-7-methoxyquinoxalin-2-yl)benzenesulfonamide
CID 86612114
2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide
CID 102990036
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 70953981
N-[3-[1,3-bis(dimethylamino)propan-2-yloxy]quinoxalin-2-yl]-2-chlorobenzenesulfonamide
CID 67402134
2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide
CID 79601343
N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
CID 112557510
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
N-[3-(2,4-dimethylanilino)-6,7-dimethylquinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 2398891
2-chloro-N-quinolin-6-ylbenzenesulfonamide
CID 25040814
2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444701

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide (CID 86657925) is 2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide is Cc1cc2nc(Cl)c(NS(=O)(=O)c3ccccc3Cl)nc2cc1C.
What is the InChIKey of 2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide?
The InChIKey is WCHOGKQQQNUPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-9-7-12-13(8-10(9)2)20-16(15(18)19-12)21-24(22,23)14-6-4-3-5-11(14)17/h3-8H,1-2H3,(H,20,21).
What are the key properties of 2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide?
2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide has a molecular weight of 382.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide is sourced from PubChem (CID 86657925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).