4-(4-aminophenyl)benzenesulfonamide

C12H12N2O2S — CID 4961927

IUPAC4-(4-aminophenyl)benzenesulfonamide
SMILESNc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C12H12N2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,13H2,(H2,14,15,16)
InChIKeyOFWFFDCOBHXZME-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.58
Rot. Bonds2

About 4-(4-aminophenyl)benzenesulfonamide

4-(4-aminophenyl)benzenesulfonamide (PubChem CID 4961927) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-(4-aminophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-aminophenyl)benzenesulfonamide
PubChem CID4961927
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-(4-aminophenyl)benzenesulfonamide
SMILESNc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C12H12N2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,13H2,(H2,14,15,16)
InChIKeyOFWFFDCOBHXZME-UHFFFAOYSA-N
XLogP1.58
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-aminophenyl)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-(4-aminophenyl)benzenesulfonamide?
The IUPAC name of 4-(4-aminophenyl)benzenesulfonamide (CID 4961927) is 4-(4-aminophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-aminophenyl)benzenesulfonamide?
The canonical SMILES for 4-(4-aminophenyl)benzenesulfonamide is Nc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)benzenesulfonamide?
The InChIKey is OFWFFDCOBHXZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,13H2,(H2,14,15,16).
What are the key properties of 4-(4-aminophenyl)benzenesulfonamide?
4-(4-aminophenyl)benzenesulfonamide has a molecular weight of 248.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)benzenesulfonamide is sourced from PubChem (CID 4961927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).