2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide

C12H7ClFN3O2S — CID 104694683

IUPAC2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccncc2F)c(Cl)c1
InChIInChI=1S/C12H7ClFN3O2S/c13-9-5-8(6-15)1-2-12(9)20(18,19)17-11-3-4-16-7-10(11)14/h1-5,7H,(H,16,17)
InChIKeyVGUODZHUYZYSSN-UHFFFAOYSA-N
MW311.73 g/mol
LogP2.55
Rot. Bonds3

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

2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide (PubChem CID 104694683) has the molecular formula C12H7ClFN3O2S and a molecular weight of 311.73 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
PubChem CID104694683
Molecular FormulaC12H7ClFN3O2S
Molecular Weight311.73 g/mol
Exact Mass310.99
IUPAC Name2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccncc2F)c(Cl)c1
InChIInChI=1S/C12H7ClFN3O2S/c13-9-5-8(6-15)1-2-12(9)20(18,19)17-11-3-4-16-7-10(11)14/h1-5,7H,(H,16,17)
InChIKeyVGUODZHUYZYSSN-UHFFFAOYSA-N
XLogP2.55
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 107810161
2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide
CID 75523599
N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704826
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 103988599
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide
CID 75392083
4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
CID 107594770
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
CID 107806943
2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide
CID 103988511
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide (CID 104694683) is 2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccncc2F)c(Cl)c1.
What is the InChIKey of 2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The InChIKey is VGUODZHUYZYSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O2S/c13-9-5-8(6-15)1-2-12(9)20(18,19)17-11-3-4-16-7-10(11)14/h1-5,7H,(H,16,17).
What are the key properties of 2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide has a molecular weight of 311.73 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 104694683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).