4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide

C14H9Cl2N3O2S — CID 2366510

IUPAC4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl2N3O2S/c15-9-5-7-10(8-6-9)22(20,21)19-14-13(16)17-11-3-1-2-4-12(11)18-14/h1-8H,(H,18,19)
InChIKeyNHLDSWNAMMISMW-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.74
Rot. Bonds3

About 4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide

4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide (PubChem CID 2366510) has the molecular formula C14H9Cl2N3O2S and a molecular weight of 354.22 g/mol. Its IUPAC name is 4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide
PubChem CID2366510
Molecular FormulaC14H9Cl2N3O2S
Molecular Weight354.22 g/mol
Exact Mass352.98
IUPAC Name4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl2N3O2S/c15-9-5-7-10(8-6-9)22(20,21)19-14-13(16)17-11-3-1-2-4-12(11)18-14/h1-8H,(H,18,19)
InChIKeyNHLDSWNAMMISMW-UHFFFAOYSA-N
XLogP3.74
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-N-(5-chloro-2-quinoxalinyl)benzenesulfonamide
CID 72462
N-(3-chloroquinoxalin-2-yl)-4-fluorobenzene-1-sulfonamide
CID 3455851
N-[3-(allylamino)-2-quinoxalinyl]-4-chlorobenzenesulfonamide
CID 2055374
2-{4-[(4-Chlorophenyl)sulfonyl]piperazino}-3-ethylquinoxaline
CID 2808993
1-((4-Chlorophenyl)sulfonyl)-1H-benzimidazol-2-amine
CID 1088439
4-chloro-N-{3-[4-(2-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl}benzenesulfonamide
CID 1325905
4-Chloro-N-(6-methyl-pyridin-2-yl)-benzenesulfonamide
CID 686176
N-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 4962629
3-[(3-{[(4-Chlorophenyl)sulfonyl]amino}-2-quinoxalinyl)amino]benzenesulfonamide
CID 5202109
3-chloro-N-[(2Z)-3-[(2-hydroxyethyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
CID 666061
4-chloro-N-{3-[4-(2-pyridinyl)-1-piperazinyl]-2-quinoxalinyl}benzenesulfonamide
CID 1253223
1-allyl-3-((3-chlorophenyl)sulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 1866414

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide (CID 2366510) is 4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide?
The InChIKey is NHLDSWNAMMISMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2S/c15-9-5-7-10(8-6-9)22(20,21)19-14-13(16)17-11-3-1-2-4-12(11)18-14/h1-8H,(H,18,19).
What are the key properties of 4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide?
4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide has a molecular weight of 354.22 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloroquinoxalin-2-yl)benzenesulfonamide is sourced from PubChem (CID 2366510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).