2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide

C13H10ClN3O2S — CID 80704923

IUPAC2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)nc1
InChIInChI=1S/C13H10ClN3O2S/c1-9-2-5-13(16-8-9)17-20(18,19)12-6-10(7-15)3-4-11(12)14/h2-6,8H,1H3,(H,16,17)
InChIKeyWORYBOKIUZHCGW-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.72
Rot. Bonds3

About 2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide

2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 80704923) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID80704923
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)nc1
InChIInChI=1S/C13H10ClN3O2S/c1-9-2-5-13(16-8-9)17-20(18,19)12-6-10(7-15)3-4-11(12)14/h2-6,8H,1H3,(H,16,17)
InChIKeyWORYBOKIUZHCGW-UHFFFAOYSA-N
XLogP2.72
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 29276222
2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide
CID 80704266
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide
CID 104821746
2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620941
2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide
CID 104922549
2,3-dichloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 9330124
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 29041806
2,5-dichloro-N-(5-cyano-2-pyridinyl)thiophene-3-sulfonamide
CID 62355556
2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 80698371
2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 80703875

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide (CID 80704923) is 2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)nc1.
What is the InChIKey of 2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is WORYBOKIUZHCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c1-9-2-5-13(16-8-9)17-20(18,19)12-6-10(7-15)3-4-11(12)14/h2-6,8H,1H3,(H,16,17).
What are the key properties of 2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 307.76 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 80704923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).