3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide

C13H20N2O2S — CID 114542903

IUPAC3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1N
InChIInChI=1S/C13H20N2O2S/c1-9-3-5-11(7-9)15-18(16,17)12-6-4-10(2)13(14)8-12/h4,6,8-9,11,15H,3,5,7,14H2,1-2H3
InChIKeyISMUXIJJNQAQQB-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.04
Rot. Bonds3

About 3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide

3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114542903) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114542903
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1N
InChIInChI=1S/C13H20N2O2S/c1-9-3-5-11(7-9)15-18(16,17)12-6-4-10(2)13(14)8-12/h4,6,8-9,11,15H,3,5,7,14H2,1-2H3
InChIKeyISMUXIJJNQAQQB-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-4-methyl-N-(3-methylcyclopentyl)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-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545307
3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542864
3-amino-4-fluoro-5-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542872
3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411115
3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373442
4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545155
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181069
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 28545115
5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114626345
4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545500

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114542903) is 3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is ISMUXIJJNQAQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-3-5-11(7-9)15-18(16,17)12-6-4-10(2)13(14)8-12/h4,6,8-9,11,15H,3,5,7,14H2,1-2H3.
What are the key properties of 3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114542903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).