(E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide

C15H12ClNO3S — CID 56661535

IUPAC(E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO3S/c16-13-7-9-14(10-8-13)21(19,20)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+
InChIKeyHNMINSQLWDQHEZ-IZZDOVSWSA-N
MW321.79 g/mol
LogP2.86
Rot. Bonds4

About (E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide

(E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide (PubChem CID 56661535) has the molecular formula C15H12ClNO3S and a molecular weight of 321.79 g/mol. Its IUPAC name is (E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide
PubChem CID56661535
Molecular FormulaC15H12ClNO3S
Molecular Weight321.79 g/mol
Exact Mass321.02
IUPAC Name(E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO3S/c16-13-7-9-14(10-8-13)21(19,20)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+
InChIKeyHNMINSQLWDQHEZ-IZZDOVSWSA-N
XLogP2.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide (CID 56661535) is (E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide?
The InChIKey is HNMINSQLWDQHEZ-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H12ClNO3S/c16-13-7-9-14(10-8-13)21(19,20)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+.
What are the key properties of (E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide?
(E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide has a molecular weight of 321.79 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chlorophenyl)sulfonyl-3-phenylprop-2-enamide is sourced from PubChem (CID 56661535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).