N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide

C14H18N2O2S — CID 79017598

IUPACN-(1-cyanocyclopentyl)-2-phenylethanesulfonamide
SMILESN#CC1(NS(=O)(=O)CCc2ccccc2)CCCC1
InChIInChI=1S/C14H18N2O2S/c15-12-14(9-4-5-10-14)16-19(17,18)11-8-13-6-2-1-3-7-13/h1-3,6-7,16H,4-5,8-11H2
InChIKeyGZJTVEWPCYPPEM-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.98
Rot. Bonds5

About N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide

N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide (PubChem CID 79017598) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-phenylethanesulfonamide
PubChem CID79017598
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(1-cyanocyclopentyl)-2-phenylethanesulfonamide
SMILESN#CC1(NS(=O)(=O)CCc2ccccc2)CCCC1
InChIInChI=1S/C14H18N2O2S/c15-12-14(9-4-5-10-14)16-19(17,18)11-8-13-6-2-1-3-7-13/h1-3,6-7,16H,4-5,8-11H2
InChIKeyGZJTVEWPCYPPEM-UHFFFAOYSA-N
XLogP1.98
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide (CID 79017598) is N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide is N#CC1(NS(=O)(=O)CCc2ccccc2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide?
The InChIKey is GZJTVEWPCYPPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c15-12-14(9-4-5-10-14)16-19(17,18)11-8-13-6-2-1-3-7-13/h1-3,6-7,16H,4-5,8-11H2.
What are the key properties of N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide?
N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 79017598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).