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

C15H13FN2O3S — CID 9314413

IUPAC(E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C15H13FN2O3S/c16-12-3-1-2-11(10-12)4-9-15(19)18-13-5-7-14(8-6-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b9-4+
InChIKeyCDTITEFHEUMHTO-RUDMXATFSA-N
MW320.35 g/mol
LogP2.12
Rot. Bonds4

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

(E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 9314413) has the molecular formula C15H13FN2O3S and a molecular weight of 320.35 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID9314413
Molecular FormulaC15H13FN2O3S
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC Name(E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C15H13FN2O3S/c16-12-3-1-2-11(10-12)4-9-15(19)18-13-5-7-14(8-6-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b9-4+
InChIKeyCDTITEFHEUMHTO-RUDMXATFSA-N
XLogP2.12
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N4-Acetylsulfanilamide
CID 8482
4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide
CID 2813478
2,2,2-trifluoro-N-(4-sulfamoylphenyl)acetamide
CID 235259
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
N-(2-fluoro-4-sulfamoylphenyl)acetamide
CID 23644664
2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide
CID 10383098
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
4-[(3-Toluidinocarbonyl)amino]benzenesulfonamide
CID 310649

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 9314413) is (E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is CDTITEFHEUMHTO-RUDMXATFSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c16-12-3-1-2-11(10-12)4-9-15(19)18-13-5-7-14(8-6-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b9-4+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 320.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 9314413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).