(E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide

C17H14ClNO4S — CID 55362067

IUPAC(E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)/C=C/c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H14ClNO4S/c1-12(20)14-6-8-16(9-7-14)24(22,23)19-17(21)10-5-13-3-2-4-15(18)11-13/h2-11H,1H3,(H,19,21)/b10-5+
InChIKeyVHGGPYCWJJIRSQ-BJMVGYQFSA-N
MW363.82 g/mol
LogP3.06
Rot. Bonds5

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

(E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide (PubChem CID 55362067) has the molecular formula C17H14ClNO4S and a molecular weight of 363.82 g/mol. Its IUPAC name is (E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide
PubChem CID55362067
Molecular FormulaC17H14ClNO4S
Molecular Weight363.82 g/mol
Exact Mass363.03
IUPAC Name(E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)/C=C/c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H14ClNO4S/c1-12(20)14-6-8-16(9-7-14)24(22,23)19-17(21)10-5-13-3-2-4-15(18)11-13/h2-11H,1H3,(H,19,21)/b10-5+
InChIKeyVHGGPYCWJJIRSQ-BJMVGYQFSA-N
XLogP3.06
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)prop-2-enamide
CID 71894493
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 42994544
(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 1220149
3-(3-chlorophenyl)-N-(3-fluoro-2-nitrophenyl)sulfonylprop-2-enamide
CID 91944057
(E)-N-(2-bromo-5-nitrophenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide
CID 75535485
(E)-3-(3-chlorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]prop-2-enamide
CID 51247103
(E)-N-[2-(3-chlorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 34406222
(E)-3-(3-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5377001
(E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide
CID 47232697
N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 884609
(2R)-2-[3-(3-chlorophenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 79011048
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide
CID 52636492

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide (CID 55362067) is (E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide is CC(=O)c1ccc(S(=O)(=O)NC(=O)/C=C/c2cccc(Cl)c2)cc1.
What is the InChIKey of (E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide?
The InChIKey is VHGGPYCWJJIRSQ-BJMVGYQFSA-N. The full InChI is InChI=1S/C17H14ClNO4S/c1-12(20)14-6-8-16(9-7-14)24(22,23)19-17(21)10-5-13-3-2-4-15(18)11-13/h2-11H,1H3,(H,19,21)/b10-5+.
What are the key properties of (E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide?
(E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide has a molecular weight of 363.82 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 55362067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).