N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide

C15H12ClN3O2S — CID 677919

IUPACN-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1
InChIInChI=1S/C15H12ClN3O2S/c1-10-6-8-11(9-7-10)22(20,21)19-15-14(16)17-12-4-2-3-5-13(12)18-15/h2-9H,1H3,(H,18,19)
InChIKeyMDPCPLUKDJWCIZ-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.39
Rot. Bonds3

About N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide

N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 677919) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide
PubChem CID677919
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC NameN-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1
InChIInChI=1S/C15H12ClN3O2S/c1-10-6-8-11(9-7-10)22(20,21)19-15-14(16)17-12-4-2-3-5-13(12)18-15/h2-9H,1H3,(H,18,19)
InChIKeyMDPCPLUKDJWCIZ-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

N-(2-quinolinyl)benzenesulfonamide
CID 2812450
4-methyl-N-quinolin-2-ylbenzenesulfonamide
CID 2812452
N-(3-chloroquinoxalin-2-yl)-4-fluorobenzene-1-sulfonamide
CID 3455851
N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide
CID 2319163
4-cyano-N-(2-quinolinyl)benzenesulfonamide
CID 2813158
N-{3-[(4-ethylphenyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 2339194
N-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 4962629
N-(3-chloroquinoxalin-2-yl)-N-methylbenzenesulfonamide
CID 2340629
N-(3-chloro-2-quinoxalinyl)-2-naphthalenesulfonamide
CID 2405538
N-{3-[(2,6-dimethylphenyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 2405615
N-(3-chloroquinoxalin-2-yl)benzenesulfonamide
CID 698553
4-Chloro-N-(3-chloro-quinoxalin-2-yl)-benzenesulfonamide
CID 2366510

Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide (CID 677919) is N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is MDPCPLUKDJWCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-10-6-8-11(9-7-10)22(20,21)19-15-14(16)17-12-4-2-3-5-13(12)18-15/h2-9H,1H3,(H,18,19).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide?
N-(3-chloroquinoxalin-2-yl)-4-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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 677919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).