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

C15H13ClN2O3S — CID 5186373

IUPAC3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C=Cc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClN2O3S/c16-12-4-1-3-11(9-12)7-8-15(19)18-13-5-2-6-14(10-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)
InChIKeyWEGZTNPNPPGUDE-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.64
Rot. Bonds4

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

3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide (PubChem CID 5186373) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
PubChem CID5186373
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C=Cc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClN2O3S/c16-12-4-1-3-11(9-12)7-8-15(19)18-13-5-2-6-14(10-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)
InChIKeyWEGZTNPNPPGUDE-UHFFFAOYSA-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'}

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Related Compounds

(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5348189
(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9413091
(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140915
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
(E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9412994
(E)-N-[3-[(4-bromophenyl)sulfamoyl]phenyl]-3-(3-chlorophenyl)prop-2-enamide
CID 6179194
(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928421
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 42994544
(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 34752671
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 6028032
N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide
CID 67338697

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide (CID 5186373) is 3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide is NS(=O)(=O)c1cccc(NC(=O)C=Cc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide?
The InChIKey is WEGZTNPNPPGUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c16-12-4-1-3-11(9-12)7-8-15(19)18-13-5-2-6-14(10-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21).
What are the key properties of 3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide?
3-(3-chlorophenyl)-N-(3-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 3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 5186373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).