(E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide

C15H13ClN2O3S — CID 809665

IUPAC(E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O3S/c16-14-4-2-1-3-11(14)5-10-15(19)18-12-6-8-13(9-7-12)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b10-5+
InChIKeyIWJVOQVXEOHSJJ-BJMVGYQFSA-N
MW336.80 g/mol
LogP2.64
Rot. Bonds4

About (E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 809665) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID809665
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name(E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O3S/c16-14-4-2-1-3-11(14)5-10-15(19)18-12-6-8-13(9-7-12)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b10-5+
InChIKeyIWJVOQVXEOHSJJ-BJMVGYQFSA-N
XLogP2.64
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide 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

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
Benzeneacetamide, N-(4-(aminosulfonyl)-2-chlorophenyl)-
CID 3051968
N1-phenyl-3-(2-chlorophenyl)acrylamide
CID 737170
1-(3-Chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea
CID 122179485
N-(3-chloro-2-methylphenyl)-2-(phenylsulfonyl)acetamide
CID 892315
N-(4-((2-Chloroanilino)sulfonyl)phenyl)acetamide
CID 607660
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 720082
N-{4-[(3-methylphenyl)sulfamoyl]phenyl}acetamide
CID 720108
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070933
(2E)-3-(2-chlorophenyl)-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2520594
(E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 9314413

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 809665) is (E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is IWJVOQVXEOHSJJ-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c16-14-4-2-1-3-11(14)5-10-15(19)18-12-6-8-13(9-7-12)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b10-5+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 336.80 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 809665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).