2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide

C14H18N2O2S — CID 115881064

IUPAC2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2ccccc2C#N)C1
InChIInChI=1S/C14H18N2O2S/c1-14(2)8-7-12(9-14)16-19(17,18)13-6-4-3-5-11(13)10-15/h3-6,12,16H,7-9H2,1-2H3
InChIKeyOWPUMTSVYMBBLV-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.42
Rot. Bonds3

About 2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide

2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide (PubChem CID 115881064) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
PubChem CID115881064
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2ccccc2C#N)C1
InChIInChI=1S/C14H18N2O2S/c1-14(2)8-7-12(9-14)16-19(17,18)13-6-4-3-5-11(13)10-15/h3-6,12,16H,7-9H2,1-2H3
InChIKeyOWPUMTSVYMBBLV-UHFFFAOYSA-N
XLogP2.42
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664
N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide
CID 114548715
2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114264422
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)benzenesulfonamide
CID 114551008
2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43215397
2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 3592960
2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
CID 6736499
2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide
CID 64747639
2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103833642
2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43176222
3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042945
N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide
CID 93453364

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide (CID 115881064) is 2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide is CC1(C)CCC(NS(=O)(=O)c2ccccc2C#N)C1.
What is the InChIKey of 2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide?
The InChIKey is OWPUMTSVYMBBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(2)8-7-12(9-14)16-19(17,18)13-6-4-3-5-11(13)10-15/h3-6,12,16H,7-9H2,1-2H3.
What are the key properties of 2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide?
2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 115881064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).