3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide

C13H16N2O2S — CID 18121874

IUPAC3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H16N2O2S/c1-15(12-6-2-3-7-12)18(16,17)13-8-4-5-11(9-13)10-14/h4-5,8-9,12H,2-3,6-7H2,1H3
InChIKeyOMWXHOPRQZOZEZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.12
Rot. Bonds3

About 3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide

3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide (PubChem CID 18121874) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
PubChem CID18121874
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H16N2O2S/c1-15(12-6-2-3-7-12)18(16,17)13-8-4-5-11(9-13)10-14/h4-5,8-9,12H,2-3,6-7H2,1H3
InChIKeyOMWXHOPRQZOZEZ-UHFFFAOYSA-N
XLogP2.12
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide
CID 78982763
4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide
CID 18129528
4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650712
N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
CID 78786922
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 54926862
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-cyano-N-methylbenzenesulfonamide
CID 163314160
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43267394
3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630767
3-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43429214
3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63708026

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide?
The IUPAC name of 3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide (CID 18121874) is 3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide?
The canonical SMILES for 3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide is CN(C1CCCC1)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide?
The InChIKey is OMWXHOPRQZOZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-15(12-6-2-3-7-12)18(16,17)13-8-4-5-11(9-13)10-14/h4-5,8-9,12H,2-3,6-7H2,1H3.
What are the key properties of 3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide?
3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 18121874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).