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

C15H13ClN2O3S — CID 809685

IUPAC(E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClN2O3S/c16-12-4-1-11(2-5-12)3-10-15(19)18-13-6-8-14(9-7-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b10-3+
InChIKeyRYLXNAXEVZRZSL-XCVCLJGOSA-N
MW336.80 g/mol
LogP2.64
Rot. Bonds4

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

(E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 809685) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID809685
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name(E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClN2O3S/c16-12-4-1-11(2-5-12)3-10-15(19)18-13-6-8-14(9-7-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b10-3+
InChIKeyRYLXNAXEVZRZSL-XCVCLJGOSA-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

3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24640586
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042
(E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 72945216
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
N-(4-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904513
3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide
CID 3331699
(E)-3-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 17071391
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 809685) is (E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is RYLXNAXEVZRZSL-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c16-12-4-1-11(2-5-12)3-10-15(19)18-13-6-8-14(9-7-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b10-3+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-3-(4-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-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 809685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).