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

C16H14ClNO3S — CID 42994544

IUPAC(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
SMILESCS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H14ClNO3S/c1-22(20,21)15-8-6-14(7-9-15)18-16(19)10-5-12-3-2-4-13(17)11-12/h2-11H,1H3,(H,18,19)/b10-5+
InChIKeyUCVRTVGFWBDOFN-BJMVGYQFSA-N
MW335.81 g/mol
LogP3.40
Rot. Bonds4

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

(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide (PubChem CID 42994544) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
PubChem CID42994544
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC Name(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
SMILESCS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H14ClNO3S/c1-22(20,21)15-8-6-14(7-9-15)18-16(19)10-5-12-3-2-4-13(17)11-12/h2-11H,1H3,(H,18,19)/b10-5+
InChIKeyUCVRTVGFWBDOFN-BJMVGYQFSA-N
XLogP3.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.40
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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Related Compounds

(E)-3-(3-bromophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 16551375
(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 1220149
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
(E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 2429875
(E)-3-(3-chlorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]prop-2-enamide
CID 51247103
(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 6028032
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140915
3-(3-chlorophenyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]prop-2-enamide
CID 74954141
(E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide
CID 42965044
(E)-3-(3-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7941296

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide (CID 42994544) is (E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide is CS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide?
The InChIKey is UCVRTVGFWBDOFN-BJMVGYQFSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c1-22(20,21)15-8-6-14(7-9-15)18-16(19)10-5-12-3-2-4-13(17)11-12/h2-11H,1H3,(H,18,19)/b10-5+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide has a molecular weight of 335.81 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 42994544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).