2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide

C13H9ClFN3O2S — CID 75524771

IUPAC2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ncccc2C#N)c(Cl)cc1F
InChIInChI=1S/C13H9ClFN3O2S/c1-8-5-12(10(14)6-11(8)15)21(19,20)18-13-9(7-16)3-2-4-17-13/h2-6H,1H3,(H,17,18)
InChIKeyZQHQZWUQGFYACL-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.86
Rot. Bonds3

About 2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide

2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide (PubChem CID 75524771) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide
PubChem CID75524771
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC Name2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ncccc2C#N)c(Cl)cc1F
InChIInChI=1S/C13H9ClFN3O2S/c1-8-5-12(10(14)6-11(8)15)21(19,20)18-13-9(7-16)3-2-4-17-13/h2-6H,1H3,(H,17,18)
InChIKeyZQHQZWUQGFYACL-UHFFFAOYSA-N
XLogP2.86
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19683104
2-chloropyridine-3-carbonitrile;N-(3-cyano-2-pyridinyl)methanesulfonamide
CID 158201741
4-amino-N-(3-chloro-2-pyridinyl)-2-cyanobenzenesulfonamide
CID 103093927
N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 103587233
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919
2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 61045161
2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 28832788
4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide
CID 106920464
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456936
4-tert-butyl-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-dimethylbenzenesulfonamide
CID 55729232
2-(2-chloro-6-methylanilino)pyridine-3-carbonitrile
CID 66256473

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide (CID 75524771) is 2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ncccc2C#N)c(Cl)cc1F.
What is the InChIKey of 2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide?
The InChIKey is ZQHQZWUQGFYACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2S/c1-8-5-12(10(14)6-11(8)15)21(19,20)18-13-9(7-16)3-2-4-17-13/h2-6H,1H3,(H,17,18).
What are the key properties of 2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide?
2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide has a molecular weight of 325.75 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 75524771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).