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

C21H17ClN2O4S — CID 78783289

IUPAC(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)Nc1cccc(O)c1
InChIInChI=1S/C21H17ClN2O4S/c22-19-6-1-2-7-20(19)24-29(27,28)18-11-8-15(9-12-18)10-13-21(26)23-16-4-3-5-17(25)14-16/h1-14,24-25H,(H,23,26)/b13-10+
InChIKeyVWVSWYFYWHTBGQ-JLHYYAGUSA-N
MW428.90 g/mol
LogP4.50
Rot. Bonds6

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

(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide (PubChem CID 78783289) has the molecular formula C21H17ClN2O4S and a molecular weight of 428.90 g/mol. Its IUPAC name is (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide
PubChem CID78783289
Molecular FormulaC21H17ClN2O4S
Molecular Weight428.90 g/mol
Exact Mass428.06
IUPAC Name(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)Nc1cccc(O)c1
InChIInChI=1S/C21H17ClN2O4S/c22-19-6-1-2-7-20(19)24-29(27,28)18-11-8-15(9-12-18)10-13-21(26)23-16-4-3-5-17(25)14-16/h1-14,24-25H,(H,23,26)/b13-10+
InChIKeyVWVSWYFYWHTBGQ-JLHYYAGUSA-N
XLogP4.50
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide
CID 4843804
3-(1,3-benzodioxol-5-yl)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 3543061
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide
CID 26637949
3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 692605
(E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 78783784
N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 3395431
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
(Z)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 2179282
(E)-N-(2-chlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 55511273
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-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 26796001

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide (CID 78783289) is (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide is O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)Nc1cccc(O)c1.
What is the InChIKey of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide?
The InChIKey is VWVSWYFYWHTBGQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H17ClN2O4S/c22-19-6-1-2-7-20(19)24-29(27,28)18-11-8-15(9-12-18)10-13-21(26)23-16-4-3-5-17(25)14-16/h1-14,24-25H,(H,23,26)/b13-10+.
What are the key properties of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide?
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide has a molecular weight of 428.90 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 78783289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).