3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide

C13H13N3O2S — CID 62961811

IUPAC3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NC2CCCC2C#N)c1
InChIInChI=1S/C13H13N3O2S/c14-8-10-3-1-5-12(7-10)19(17,18)16-13-6-2-4-11(13)9-15/h1,3,5,7,11,13,16H,2,4,6H2
InChIKeyOOBSLXFKUIADRZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.53
Rot. Bonds3

About 3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide

3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide (PubChem CID 62961811) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
PubChem CID62961811
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NC2CCCC2C#N)c1
InChIInChI=1S/C13H13N3O2S/c14-8-10-3-1-5-12(7-10)19(17,18)16-13-6-2-4-11(13)9-15/h1,3,5,7,11,13,16H,2,4,6H2
InChIKeyOOBSLXFKUIADRZ-UHFFFAOYSA-N
XLogP1.53
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922365
3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43176217
3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 115674549
5-[(2-cyanocyclopentyl)sulfamoyl]-2-iodobenzoic acid
CID 103962487
N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide
CID 101252932
2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide
CID 62962177
3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide
CID 102794968
2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
CID 62961818
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]-3-cyanobenzenesulfonamide
CID 129393228
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide
CID 62963627
3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651396

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide (CID 62961811) is 3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NC2CCCC2C#N)c1.
What is the InChIKey of 3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide?
The InChIKey is OOBSLXFKUIADRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c14-8-10-3-1-5-12(7-10)19(17,18)16-13-6-2-4-11(13)9-15/h1,3,5,7,11,13,16H,2,4,6H2.
What are the key properties of 3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide?
3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide has a molecular weight of 275.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide is sourced from PubChem (CID 62961811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).