N-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide

C15H12ClN3O2S — CID 2492440

IUPACN-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C15H12ClN3O2S/c1-10-6-2-5-9-13(10)22(20,21)19-15-14(16)17-11-7-3-4-8-12(11)18-15/h2-9H,1H3,(H,18,19)
InChIKeyMAVFMTFLRILYNX-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.39
Rot. Bonds3

About N-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide

N-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide (PubChem CID 2492440) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide
PubChem CID2492440
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC NameN-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C15H12ClN3O2S/c1-10-6-2-5-9-13(10)22(20,21)19-15-14(16)17-11-7-3-4-8-12(11)18-15/h2-9H,1H3,(H,18,19)
InChIKeyMAVFMTFLRILYNX-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide (CID 2492440) is N-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is MAVFMTFLRILYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-10-6-2-5-9-13(10)22(20,21)19-15-14(16)17-11-7-3-4-8-12(11)18-15/h2-9H,1H3,(H,18,19).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide?
N-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide 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 N-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 2492440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).