2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide

C16H14ClN3O2S — CID 110869709

IUPAC2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide
SMILESCc1nc2ccccc2nc1CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H14ClN3O2S/c1-11-15(20-14-8-4-3-7-13(14)19-11)10-18-23(21,22)16-9-5-2-6-12(16)17/h2-9,18H,10H2,1H3
InChIKeyKYYLHIGCKRDFOY-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.07
Rot. Bonds4

About 2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide

2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide (PubChem CID 110869709) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide
PubChem CID110869709
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide
SMILESCc1nc2ccccc2nc1CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H14ClN3O2S/c1-11-15(20-14-8-4-3-7-13(14)19-11)10-18-23(21,22)16-9-5-2-6-12(16)17/h2-9,18H,10H2,1H3
InChIKeyKYYLHIGCKRDFOY-UHFFFAOYSA-N
XLogP3.07
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121937
2,5-dichloro-N-[(3-methylquinoxalin-2-yl)methyl]aniline
CID 20787676
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 72718438
2-chloro-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53020666
N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
CID 61401064
2-chloro-N-[[4-(methoxymethyl)phenyl]methyl]benzenesulfonamide
CID 34263580
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline
CID 20787666
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 110712008
N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide
CID 32944413
2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110782630
(2S)-2-[[2-[[(2-chlorophenyl)sulfonylamino]methyl]quinazolin-4-yl]amino]-3-methylbutanamide
CID 58797259

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide (CID 110869709) is 2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide is Cc1nc2ccccc2nc1CNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide?
The InChIKey is KYYLHIGCKRDFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-11-15(20-14-8-4-3-7-13(14)19-11)10-18-23(21,22)16-9-5-2-6-12(16)17/h2-9,18H,10H2,1H3.
What are the key properties of 2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide?
2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide has a molecular weight of 347.83 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methylquinoxalin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110869709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).