3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide

C13H15FN2O2S — CID 55172890

IUPAC3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1ccc(F)c(C#N)c1
InChIInChI=1S/C13H15FN2O2S/c1-9-3-2-4-13(9)16-19(17,18)11-5-6-12(14)10(7-11)8-15/h5-7,9,13,16H,2-4H2,1H3
InChIKeyQACXDGQZEPCSJK-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.16
Rot. Bonds3

About 3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide

3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide (PubChem CID 55172890) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
PubChem CID55172890
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC Name3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1ccc(F)c(C#N)c1
InChIInChI=1S/C13H15FN2O2S/c1-9-3-2-4-13(9)16-19(17,18)11-5-6-12(14)10(7-11)8-15/h5-7,9,13,16H,2-4H2,1H3
InChIKeyQACXDGQZEPCSJK-UHFFFAOYSA-N
XLogP2.16
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64910233
3-cyano-4-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722842
3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide
CID 112689807
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210
3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide
CID 103864215
3-cyano-N-(2,2-dimethylcyclopropyl)-4-fluorobenzenesulfonamide
CID 55172697
2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43081703
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960586
3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723667
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide (CID 55172890) is 3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide is CC1CCCC1NS(=O)(=O)c1ccc(F)c(C#N)c1.
What is the InChIKey of 3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide?
The InChIKey is QACXDGQZEPCSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c1-9-3-2-4-13(9)16-19(17,18)11-5-6-12(14)10(7-11)8-15/h5-7,9,13,16H,2-4H2,1H3.
What are the key properties of 3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide?
3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide has a molecular weight of 282.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 55172890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).