3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide

C15H18N2O3S — CID 29035063

IUPAC3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1ccccc1NS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C15H18N2O3S/c1-10(2)12-5-3-4-6-14(12)17-21(19,20)11-7-8-15(18)13(16)9-11/h3-10,17-18H,16H2,1-2H3
InChIKeyJVQJLSYKLHHLFM-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.90
Rot. Bonds4

About 3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide

3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 29035063) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide
PubChem CID29035063
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1ccccc1NS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C15H18N2O3S/c1-10(2)12-5-3-4-6-14(12)17-21(19,20)11-7-8-15(18)13(16)9-11/h3-10,17-18H,16H2,1-2H3
InChIKeyJVQJLSYKLHHLFM-UHFFFAOYSA-N
XLogP2.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.90
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'}

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Related Compounds

3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79042553
3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 61076963
6-amino-N-(2-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 62149213
3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
CID 3018876
4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29045454
4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 43332053
N-(2-methylpropyl)-3-[(2-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109062830
3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide
CID 30053987
5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide
CID 107813315
3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61107273
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164
3-amino-N-(4-bromo-2-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 29040272

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide (CID 29035063) is 3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide is CC(C)c1ccccc1NS(=O)(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is JVQJLSYKLHHLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10(2)12-5-3-4-6-14(12)17-21(19,20)11-7-8-15(18)13(16)9-11/h3-10,17-18H,16H2,1-2H3.
What are the key properties of 3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide?
3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.90, 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-(2-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 29035063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).