2-cyano-N-(cyclopentylmethyl)benzenesulfonamide

C13H16N2O2S — CID 43317177

IUPAC2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C13H16N2O2S/c14-9-12-7-3-4-8-13(12)18(16,17)15-10-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,10H2
InChIKeyUGLZULBTQGXABR-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.03
Rot. Bonds4

About 2-cyano-N-(cyclopentylmethyl)benzenesulfonamide

2-cyano-N-(cyclopentylmethyl)benzenesulfonamide (PubChem CID 43317177) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-cyano-N-(cyclopentylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
PubChem CID43317177
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C13H16N2O2S/c14-9-12-7-3-4-8-13(12)18(16,17)15-10-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,10H2
InChIKeyUGLZULBTQGXABR-UHFFFAOYSA-N
XLogP2.03
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103833642
N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide
CID 43455192
2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664
N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide
CID 93453364
4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
CID 106833028
2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide
CID 64747639
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43176222
2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122736
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
3-amino-N-(cyclopentylmethyl)-2-nitrobenzenesulfonamide
CID 115993381
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(cyclopentylmethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(cyclopentylmethyl)benzenesulfonamide (CID 43317177) is 2-cyano-N-(cyclopentylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(cyclopentylmethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(cyclopentylmethyl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCC1CCCC1.
What is the InChIKey of 2-cyano-N-(cyclopentylmethyl)benzenesulfonamide?
The InChIKey is UGLZULBTQGXABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c14-9-12-7-3-4-8-13(12)18(16,17)15-10-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,10H2.
What are the key properties of 2-cyano-N-(cyclopentylmethyl)benzenesulfonamide?
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(cyclopentylmethyl)benzenesulfonamide is sourced from PubChem (CID 43317177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).