3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide

C14H17FN2O2S — CID 64910233

IUPAC3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(F)c(C#N)c2)C1C
InChIInChI=1S/C14H17FN2O2S/c1-9-3-6-14(10(9)2)17-20(18,19)12-4-5-13(15)11(7-12)8-16/h4-5,7,9-10,14,17H,3,6H2,1-2H3
InChIKeyRSLXLJVLQHEFHZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.41
Rot. Bonds3

About 3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide

3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide (PubChem CID 64910233) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
PubChem CID64910233
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(F)c(C#N)c2)C1C
InChIInChI=1S/C14H17FN2O2S/c1-9-3-6-14(10(9)2)17-20(18,19)12-4-5-13(15)11(7-12)8-16/h4-5,7,9-10,14,17H,3,6H2,1-2H3
InChIKeyRSLXLJVLQHEFHZ-UHFFFAOYSA-N
XLogP2.41
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172890
3-cyano-4-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722842
N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64907614
3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960586
3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide
CID 103864215
3-cyano-N-(2,2-dimethylcyclopropyl)-4-fluorobenzenesulfonamide
CID 55172697
6-cyano-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 114613875
4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439
3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288235
3-cyano-4-fluorobenzenesulfonohydrazide
CID 63288067
N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64923273
N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106069133

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide (CID 64910233) is 3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccc(F)c(C#N)c2)C1C.
What is the InChIKey of 3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
The InChIKey is RSLXLJVLQHEFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-9-3-6-14(10(9)2)17-20(18,19)12-4-5-13(15)11(7-12)8-16/h4-5,7,9-10,14,17H,3,6H2,1-2H3.
What are the key properties of 3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide?
3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide has a molecular weight of 296.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 64910233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).