4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide

C13H14N2O3S — CID 175297408

IUPAC4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)c(-c2ccc(CO)cc2)c1
InChIInChI=1S/C13H14N2O3S/c14-11-5-6-13(19(15,17)18)12(7-11)10-3-1-9(8-16)2-4-10/h1-7,16H,8,14H2,(H2,15,17,18)
InChIKeyJFTHFLTYAUKFHI-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.08
Rot. Bonds3

About 4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide

4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 175297408) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID175297408
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)c(-c2ccc(CO)cc2)c1
InChIInChI=1S/C13H14N2O3S/c14-11-5-6-13(19(15,17)18)12(7-11)10-3-1-9(8-16)2-4-10/h1-7,16H,8,14H2,(H2,15,17,18)
InChIKeyJFTHFLTYAUKFHI-UHFFFAOYSA-N
XLogP1.08
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide (CID 175297408) is 4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide is Nc1ccc(S(N)(=O)=O)c(-c2ccc(CO)cc2)c1.
What is the InChIKey of 4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is JFTHFLTYAUKFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c14-11-5-6-13(19(15,17)18)12(7-11)10-3-1-9(8-16)2-4-10/h1-7,16H,8,14H2,(H2,15,17,18).
What are the key properties of 4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 175297408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).