(E)-2-(2-aminophenyl)ethenesulfonamide

C8H10N2O2S — CID 95562297

IUPAC(E)-2-(2-aminophenyl)ethenesulfonamide
SMILESNc1ccccc1/C=C/S(N)(=O)=O
InChIInChI=1S/C8H10N2O2S/c9-8-4-2-1-3-7(8)5-6-13(10,11)12/h1-6H,9H2,(H2,10,11,12)/b6-5+
InChIKeySPRKIHUOEGKQAL-AATRIKPKSA-N
MW198.25 g/mol
LogP0.53
Rot. Bonds2

About (E)-2-(2-aminophenyl)ethenesulfonamide

(E)-2-(2-aminophenyl)ethenesulfonamide (PubChem CID 95562297) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is (E)-2-(2-aminophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(2-aminophenyl)ethenesulfonamide
PubChem CID95562297
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name(E)-2-(2-aminophenyl)ethenesulfonamide
SMILESNc1ccccc1/C=C/S(N)(=O)=O
InChIInChI=1S/C8H10N2O2S/c9-8-4-2-1-3-7(8)5-6-13(10,11)12/h1-6H,9H2,(H2,10,11,12)/b6-5+
InChIKeySPRKIHUOEGKQAL-AATRIKPKSA-N
XLogP0.53
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-(2-aminophenyl)ethenesulfonamide 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 (E)-2-(2-aminophenyl)ethenesulfonamide?
The IUPAC name of (E)-2-(2-aminophenyl)ethenesulfonamide (CID 95562297) is (E)-2-(2-aminophenyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(2-aminophenyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(2-aminophenyl)ethenesulfonamide is Nc1ccccc1/C=C/S(N)(=O)=O.
What is the InChIKey of (E)-2-(2-aminophenyl)ethenesulfonamide?
The InChIKey is SPRKIHUOEGKQAL-AATRIKPKSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-8-4-2-1-3-7(8)5-6-13(10,11)12/h1-6H,9H2,(H2,10,11,12)/b6-5+.
What are the key properties of (E)-2-(2-aminophenyl)ethenesulfonamide?
(E)-2-(2-aminophenyl)ethenesulfonamide has a molecular weight of 198.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-aminophenyl)ethenesulfonamide is sourced from PubChem (CID 95562297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).