3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide

C13H20N2O3S — CID 63277889

IUPAC3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCC2C)cc1N
InChIInChI=1S/C13H20N2O3S/c1-9-4-3-5-12(9)15-19(16,17)10-6-7-13(18-2)11(14)8-10/h6-9,12,15H,3-5,14H2,1-2H3
InChIKeyYWEURSCXCIHSHY-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.74
Rot. Bonds4

About 3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide

3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide (PubChem CID 63277889) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
PubChem CID63277889
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCC2C)cc1N
InChIInChI=1S/C13H20N2O3S/c1-9-4-3-5-12(9)15-19(16,17)10-6-7-13(18-2)11(14)8-10/h6-9,12,15H,3-5,14H2,1-2H3
InChIKeyYWEURSCXCIHSHY-UHFFFAOYSA-N
XLogP1.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-methoxy-N-(2-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-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210
3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542864
3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 64734598
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064265
3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 50876225
3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 79865271
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide
CID 95864987

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide (CID 63277889) is 3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCC2C)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide?
The InChIKey is YWEURSCXCIHSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-4-3-5-12(9)15-19(16,17)10-6-7-13(18-2)11(14)8-10/h6-9,12,15H,3-5,14H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide?
3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 63277889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).