3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide

C14H16N2O3S — CID 30053987

IUPAC3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(O)c(N)c2)c1
InChIInChI=1S/C14H16N2O3S/c1-9-5-10(2)7-11(6-9)16-20(18,19)12-3-4-14(17)13(15)8-12/h3-8,16-17H,15H2,1-2H3
InChIKeyMWSSEBXLQFEDHI-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.39
Rot. Bonds3

About 3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide

3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide (PubChem CID 30053987) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide
PubChem CID30053987
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(O)c(N)c2)c1
InChIInChI=1S/C14H16N2O3S/c1-9-5-10(2)7-11(6-9)16-20(18,19)12-3-4-14(17)13(15)8-12/h3-8,16-17H,15H2,1-2H3
InChIKeyMWSSEBXLQFEDHI-UHFFFAOYSA-N
XLogP2.39
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.39
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-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699434
3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
CID 3018876
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164
3-amino-N-(3-bromo-5-methylphenyl)-4-fluorobenzenesulfonamide
CID 107581716
2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 134108932
3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79042553
3-amino-N-(4-chloro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 107620728
3-amino-N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114837025
6-amino-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 62145055
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide (CID 30053987) is 3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(O)c(N)c2)c1.
What is the InChIKey of 3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide?
The InChIKey is MWSSEBXLQFEDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-5-10(2)7-11(6-9)16-20(18,19)12-3-4-14(17)13(15)8-12/h3-8,16-17H,15H2,1-2H3.
What are the key properties of 3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide?
3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 30053987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).