3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide

C16H22N2O2S — CID 78982763

IUPAC3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CCCC1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H22N2O2S/c1-13(2)12-18(15-7-3-4-8-15)21(19,20)16-9-5-6-14(10-16)11-17/h5-6,9-10,13,15H,3-4,7-8,12H2,1-2H3
InChIKeyRRJZUTMLMDOMKA-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.15
Rot. Bonds5

About 3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide

3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 78982763) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID78982763
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CCCC1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H22N2O2S/c1-13(2)12-18(15-7-3-4-8-15)21(19,20)16-9-5-6-14(10-16)11-17/h5-6,9-10,13,15H,3-4,7-8,12H2,1-2H3
InChIKeyRRJZUTMLMDOMKA-UHFFFAOYSA-N
XLogP3.15
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
CID 18121874
2-[(3-cyanophenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62034793
5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 106268641
3-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 47306005
N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide
CID 66183415
N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide
CID 81265308
3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 60539740
N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide
CID 52568483
3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269699
3-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43429214
N-butyl-3-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 129370560
3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541173

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide (CID 78982763) is 3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C1CCCC1)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is RRJZUTMLMDOMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-13(2)12-18(15-7-3-4-8-15)21(19,20)16-9-5-6-14(10-16)11-17/h5-6,9-10,13,15H,3-4,7-8,12H2,1-2H3.
What are the key properties of 3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide?
3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 78982763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).