(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide

C17H17ClN2O3S — CID 26637949

IUPAC(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide
SMILESCCNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-2-19-17(21)12-9-13-7-10-14(11-8-13)24(22,23)20-16-6-4-3-5-15(16)18/h3-12,20H,2H2,1H3,(H,19,21)/b12-9+
InChIKeyQBIUOSPPKZMEID-FMIVXFBMSA-N
MW364.85 g/mol
LogP3.29
Rot. Bonds6

About (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide

(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide (PubChem CID 26637949) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide
PubChem CID26637949
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide
SMILESCCNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-2-19-17(21)12-9-13-7-10-14(11-8-13)24(22,23)20-16-6-4-3-5-15(16)18/h3-12,20H,2H2,1H3,(H,19,21)/b12-9+
InChIKeyQBIUOSPPKZMEID-FMIVXFBMSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.29
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

propan-2-yl 2-[[(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]acetate
CID 56551023
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 26591216
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 26796001
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide
CID 78783289
5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide
CID 4843804
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
CID 55963826
(E)-N-butyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(2-hydroxyethyl)prop-2-enamide
CID 78856037
N-(2-chlorophenyl)-4-[(E)-3-(3,5-dimethylpiperidin-1-yl)-3-oxoprop-1-enyl]benzenesulfonamide
CID 42992234
N-(2-chlorophenyl)-4-[(E)-3-oxo-3-(1-oxo-1,4-thiazinan-4-yl)prop-1-enyl]benzenesulfonamide
CID 56571495
N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
CID 55972471
3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide
CID 55553986

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide?
The IUPAC name of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide (CID 26637949) is (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide is CCNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide?
The InChIKey is QBIUOSPPKZMEID-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-2-19-17(21)12-9-13-7-10-14(11-8-13)24(22,23)20-16-6-4-3-5-15(16)18/h3-12,20H,2H2,1H3,(H,19,21)/b12-9+.
What are the key properties of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide?
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide has a molecular weight of 364.85 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide is sourced from PubChem (CID 26637949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).