3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

C13H20N2O3S — CID 107411156

IUPAC3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(O)c(N)c2)C1
InChIInChI=1S/C13H20N2O3S/c1-9-2-3-10(6-9)8-15-19(17,18)11-4-5-13(16)12(14)7-11/h4-5,7,9-10,15-16H,2-3,6,8,14H2,1H3
InChIKeyVJURAEQQFWQFIO-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.69
Rot. Bonds4

About 3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 107411156) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID107411156
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(O)c(N)c2)C1
InChIInChI=1S/C13H20N2O3S/c1-9-2-3-10(6-9)8-15-19(17,18)11-4-5-13(16)12(14)7-11/h4-5,7,9-10,15-16H,2-3,6,8,14H2,1H3
InChIKeyVJURAEQQFWQFIO-UHFFFAOYSA-N
XLogP1.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]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-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411115
6-amino-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107411147
3-amino-4-hydroxy-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 61126988
3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115419
4-(bromomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414936
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422504
3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089862
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411164
4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089946
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 107414189
3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (CID 107411156) is 3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is CC1CCC(CNS(=O)(=O)c2ccc(O)c(N)c2)C1.
What is the InChIKey of 3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is VJURAEQQFWQFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-2-3-10(6-9)8-15-19(17,18)11-4-5-13(16)12(14)7-11/h4-5,7,9-10,15-16H,2-3,6,8,14H2,1H3.
What are the key properties of 3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 107411156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).