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

C13H20N2O3S — CID 114542864

IUPAC3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1N
InChIInChI=1S/C13H20N2O3S/c1-9-3-4-10(7-9)15-19(16,17)11-5-6-13(18-2)12(14)8-11/h5-6,8-10,15H,3-4,7,14H2,1-2H3
InChIKeyGWUKNEIQZGNRCQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.74
Rot. Bonds4

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

3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114542864) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114542864
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1N
InChIInChI=1S/C13H20N2O3S/c1-9-3-4-10(7-9)15-19(16,17)11-5-6-13(18-2)12(14)8-11/h5-6,8-10,15H,3-4,7,14H2,1-2H3
InChIKeyGWUKNEIQZGNRCQ-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'}

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Related Compounds

3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 64734598
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277889
4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545155
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
3-amino-4-fluoro-5-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542872
3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545307
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 64501520
3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 79865271

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114542864) is 3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is GWUKNEIQZGNRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-3-4-10(7-9)15-19(16,17)11-5-6-13(18-2)12(14)8-11/h5-6,8-10,15H,3-4,7,14H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide?
3-amino-4-methoxy-N-(3-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-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114542864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).