3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide

C15H12ClN3O2S — CID 11244517

IUPAC3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc2nccnc2c1
InChIInChI=1S/C15H12ClN3O2S/c1-10-12(16)3-2-4-15(10)22(20,21)19-11-5-6-13-14(9-11)18-8-7-17-13/h2-9,19H,1H3
InChIKeyFXOFPOWUPRKSQK-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.39
Rot. Bonds3

About 3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide

3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide (PubChem CID 11244517) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
PubChem CID11244517
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc2nccnc2c1
InChIInChI=1S/C15H12ClN3O2S/c1-10-12(16)3-2-4-15(10)22(20,21)19-11-5-6-13-14(9-11)18-8-7-17-13/h2-9,19H,1H3
InChIKeyFXOFPOWUPRKSQK-UHFFFAOYSA-N
XLogP3.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide
CID 142674275
3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 6918870
3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 59018206
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
3-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532701
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide
CID 58885277
3-chloro-2-methyl-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 59018209
2-chloro-N-quinolin-6-ylbenzenesulfonamide
CID 25040814
3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide (CID 11244517) is 3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2nccnc2c1.
What is the InChIKey of 3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide?
The InChIKey is FXOFPOWUPRKSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-10-12(16)3-2-4-15(10)22(20,21)19-11-5-6-13-14(9-11)18-8-7-17-13/h2-9,19H,1H3.
What are the key properties of 3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide?
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide has a molecular weight of 333.80 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide is sourced from PubChem (CID 11244517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).