(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide

C23H20ClFN2O3S — CID 26796001

IUPAC(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C23H20ClFN2O3S/c24-21-3-1-2-4-22(21)27-31(29,30)20-12-7-17(8-13-20)9-14-23(28)26-16-15-18-5-10-19(25)11-6-18/h1-14,27H,15-16H2,(H,26,28)/b14-9+
InChIKeyULVLYEGIKCPUDD-NTEUORMPSA-N
MW458.94 g/mol
LogP4.65
Rot. Bonds8

About (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide

(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide (PubChem CID 26796001) has the molecular formula C23H20ClFN2O3S and a molecular weight of 458.94 g/mol. Its IUPAC name is (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
PubChem CID26796001
Molecular FormulaC23H20ClFN2O3S
Molecular Weight458.94 g/mol
Exact Mass458.09
IUPAC Name(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C23H20ClFN2O3S/c24-21-3-1-2-4-22(21)27-31(29,30)20-12-7-17(8-13-20)9-14-23(28)26-16-15-18-5-10-19(25)11-6-18/h1-14,27H,15-16H2,(H,26,28)/b14-9+
InChIKeyULVLYEGIKCPUDD-NTEUORMPSA-N
XLogP4.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.94
LogP ≤ 54.65
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

(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide
CID 26637949
3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 26591216
propan-2-yl 2-[[(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]acetate
CID 56551023
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
(E)-3-(4-chlorophenyl)-N-[3-(4-fluorophenyl)propyl]prop-2-enamide
CID 99998398
(E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide
CID 6291291
(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-(2-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 1346266
(E)-N-[2-(3-chlorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 34406222
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 34820303

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide (CID 26796001) is (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide is O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NCCc1ccc(F)cc1.
What is the InChIKey of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide?
The InChIKey is ULVLYEGIKCPUDD-NTEUORMPSA-N. The full InChI is InChI=1S/C23H20ClFN2O3S/c24-21-3-1-2-4-22(21)27-31(29,30)20-12-7-17(8-13-20)9-14-23(28)26-16-15-18-5-10-19(25)11-6-18/h1-14,27H,15-16H2,(H,26,28)/b14-9+.
What are the key properties of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide?
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide has a molecular weight of 458.94 g/mol, XLogP of 4.65, 8 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-[2-(4-fluorophenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 26796001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).