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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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).