4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide

C13H14N2O3S — CID 2755728

IUPAC4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2ccccc2O)cc1
InChIInChI=1S/C13H14N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2,(H2,14,17,18)
InChIKeyAAUFHLHZUYBELO-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.65
Rot. Bonds4

About 4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide

4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide (PubChem CID 2755728) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide
PubChem CID2755728
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2ccccc2O)cc1
InChIInChI=1S/C13H14N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2,(H2,14,17,18)
InChIKeyAAUFHLHZUYBELO-UHFFFAOYSA-N
XLogP1.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-[(2-hydroxyphenyl)methylamino]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

Alpha-(meta-toluidino)-ortho-cresol
CID 3236648
Alpha-(para-toluidino)-ortho-cresol
CID 4114014
N-benzyl-4-hydroxy-N-phenylbenzenesulfonamide
CID 44407802
2,3,5,6-Tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide
CID 71584330
4-((2-Hydroxybenzylidene)amino)benzenesulfonamide
CID 308397
2-(Anilinomethyl)phenol
CID 220804
2-(((4-Fluorophenyl)Amino)Methyl)Phenol
CID 855073
N-(4-Hydroxy-3-piperidin-1-ylmethyl-phenyl)-benzenesulfonamide
CID 655266
4-[(5-Chloro-2-hydroxybenzyl)amino]benzenesulfonamide
CID 29034199
4-[(3-Chloro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 115950960
4-[(4-Hydroxyphenyl)methylamino]benzenesulfonamide
CID 28452155
4-[(2-Hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide
CID 29045530

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide (CID 2755728) is 4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NCc2ccccc2O)cc1.
What is the InChIKey of 4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide?
The InChIKey is AAUFHLHZUYBELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2,(H2,14,17,18).
What are the key properties of 4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide?
4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 2755728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).