4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide

C14H18N2O3S — CID 103757199

IUPAC4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1ccc(C#N)cc1C
InChIInChI=1S/C14H18N2O3S/c1-10-8-11(9-15)6-7-14(10)20(17,18)16-12-4-3-5-13(12)19-2/h6-8,12-13,16H,3-5H2,1-2H3
InChIKeyXFSJUKRRTKBKPN-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.71
Rot. Bonds4

About 4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide

4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide (PubChem CID 103757199) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide
PubChem CID103757199
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1ccc(C#N)cc1C
InChIInChI=1S/C14H18N2O3S/c1-10-8-11(9-15)6-7-14(10)20(17,18)16-12-4-3-5-13(12)19-2/h6-8,12-13,16H,3-5H2,1-2H3
InChIKeyXFSJUKRRTKBKPN-UHFFFAOYSA-N
XLogP1.71
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide 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

4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724642
4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 106998698
N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998868
4-[(4-cyano-2-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 106996515
5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide
CID 81481552
3-fluoro-4-[(2-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 79177880
4-cyano-2-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzenesulfonamide
CID 128975404
5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide
CID 102920705
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 102675606
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 106997230
N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704769
4-[(2-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805249

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide (CID 103757199) is 4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide is COC1CCCC1NS(=O)(=O)c1ccc(C#N)cc1C.
What is the InChIKey of 4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide?
The InChIKey is XFSJUKRRTKBKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-8-11(9-15)6-7-14(10)20(17,18)16-12-4-3-5-13(12)19-2/h6-8,12-13,16H,3-5H2,1-2H3.
What are the key properties of 4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide?
4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 103757199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).