4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide

C15H12ClN3O2S — CID 110869536

IUPAC4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide
SMILESCN(c1ccc2nccnc2c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2S/c1-19(22(20,21)13-5-2-11(16)3-6-13)12-4-7-14-15(10-12)18-9-8-17-14/h2-10H,1H3
InChIKeyYSIUGWJHWHPFPS-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.11
Rot. Bonds3

About 4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide

4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide (PubChem CID 110869536) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide
PubChem CID110869536
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide
SMILESCN(c1ccc2nccnc2c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2S/c1-19(22(20,21)13-5-2-11(16)3-6-13)12-4-7-14-15(10-12)18-9-8-17-14/h2-10H,1H3
InChIKeyYSIUGWJHWHPFPS-UHFFFAOYSA-N
XLogP3.11
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110869565
N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110869539
N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide
CID 95969443
N-(4-chlorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 100515884
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide
CID 71945594
4-chloro-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide
CID 67198187
ethane;6-methylsulfonylquinoxaline
CID 156875754
N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
CID 110869229
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
5-[(4-chlorophenyl)sulfonyl-methylamino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11234881
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide (CID 110869536) is 4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide is CN(c1ccc2nccnc2c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide?
The InChIKey is YSIUGWJHWHPFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-19(22(20,21)13-5-2-11(16)3-6-13)12-4-7-14-15(10-12)18-9-8-17-14/h2-10H,1H3.
What are the key properties of 4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide?
4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide has a molecular weight of 333.80 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide is sourced from PubChem (CID 110869536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).