4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide

C14H18N2O2S — CID 107418696

IUPAC4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1CCCC1CNS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O2S/c1-11-3-2-4-13(11)10-16-19(17,18)14-7-5-12(9-15)6-8-14/h5-8,11,13,16H,2-4,10H2,1H3
InChIKeyIDTAOWRZNAVUOF-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.27
Rot. Bonds4

About 4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide

4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 107418696) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID107418696
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1CCCC1CNS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O2S/c1-11-3-2-4-13(11)10-16-19(17,18)14-7-5-12(9-15)6-8-14/h5-8,11,13,16H,2-4,10H2,1H3
InChIKeyIDTAOWRZNAVUOF-UHFFFAOYSA-N
XLogP2.27
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107418691
6-cyano-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107418699
4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
CID 97239465
4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439
3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416445
N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422505
5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 107418739
4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161873
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-4-sulfonamide
CID 107420200
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]pyrimidine-5-sulfonamide
CID 107420494
3-fluoro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzenesulfonamide
CID 107417852

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide (CID 107418696) is 4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide is CC1CCCC1CNS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is IDTAOWRZNAVUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11-3-2-4-13(11)10-16-19(17,18)14-7-5-12(9-15)6-8-14/h5-8,11,13,16H,2-4,10H2,1H3.
What are the key properties of 4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 107418696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).