(E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide

C10H10ClNO3S — CID 47232697

IUPAC(E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide
SMILESCS(=O)(=O)NC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3S/c1-16(14,15)12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+
InChIKeyKFEMSADRBWVTOH-QPJJXVBHSA-N
MW259.71 g/mol
LogP1.43
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide

(E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide (PubChem CID 47232697) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide
PubChem CID47232697
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name(E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide
SMILESCS(=O)(=O)NC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3S/c1-16(14,15)12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+
InChIKeyKFEMSADRBWVTOH-QPJJXVBHSA-N
XLogP1.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.43
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

3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide
CID 52636492
(E)-3-(4-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)prop-2-enamide
CID 806243
5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid
CID 71336819
(E)-3-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide
CID 46566592
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 19176841
(E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244745
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
(E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 809685
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
methyl (E)-4-(4-chlorophenyl)-2-oxobut-3-enoate
CID 11736256
(E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide
CID 110495511

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide (CID 47232697) is (E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide is CS(=O)(=O)NC(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide?
The InChIKey is KFEMSADRBWVTOH-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c1-16(14,15)12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide?
(E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide has a molecular weight of 259.71 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide is sourced from PubChem (CID 47232697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).