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

C13H15ClN2O2S — CID 112689807

IUPAC3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C13H15ClN2O2S/c1-9-3-2-4-13(9)16-19(17,18)11-6-5-10(8-15)12(14)7-11/h5-7,9,13,16H,2-4H2,1H3
InChIKeyVRQLVSSGDWZPQS-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.68
Rot. Bonds3

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

3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide (PubChem CID 112689807) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide
PubChem CID112689807
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C13H15ClN2O2S/c1-9-3-2-4-13(9)16-19(17,18)11-6-5-10(8-15)12(14)7-11/h5-7,9,13,16H,2-4H2,1H3
InChIKeyVRQLVSSGDWZPQS-UHFFFAOYSA-N
XLogP2.68
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 115674549
3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172890
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688
2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281524
3-chloro-4-cyano-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982589
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide
CID 115690473
3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 112703665
3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964435
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43176222

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide (CID 112689807) is 3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide is CC1CCCC1NS(=O)(=O)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide?
The InChIKey is VRQLVSSGDWZPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-9-3-2-4-13(9)16-19(17,18)11-6-5-10(8-15)12(14)7-11/h5-7,9,13,16H,2-4H2,1H3.
What are the key properties of 3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide?
3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide has a molecular weight of 298.80 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 112689807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).