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

C17H15ClN2O4S — CID 1345979

IUPAC(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C17H15ClN2O4S/c1-12(21)20-25(23,24)15-9-7-14(8-10-15)19-17(22)11-6-13-4-2-3-5-16(13)18/h2-11H,1H3,(H,19,22)(H,20,21)/b11-6+
InChIKeyPIWSGATWUVNMPY-IZZDOVSWSA-N
MW378.84 g/mol
LogP2.82
Rot. Bonds5

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

(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide (PubChem CID 1345979) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide
PubChem CID1345979
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C17H15ClN2O4S/c1-12(21)20-25(23,24)15-9-7-14(8-10-15)19-17(22)11-6-13-4-2-3-5-16(13)18/h2-11H,1H3,(H,19,22)(H,20,21)/b11-6+
InChIKeyPIWSGATWUVNMPY-IZZDOVSWSA-N
XLogP2.82
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzeneacetamide, N-(4-(aminosulfonyl)-2-chlorophenyl)-
CID 3051968
1-(3-Chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea
CID 122179485
N-(4-((2-Chloroanilino)sulfonyl)phenyl)acetamide
CID 607660
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 720082
N-{4-[(3-methylphenyl)sulfamoyl]phenyl}acetamide
CID 720108
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070933
(2E)-3-(2-chlorophenyl)-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2520594
(E)-3-(3-fluorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 9314413
(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155527145
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155557452
N-[(4-chlorophenyl)sulfonyl]-N-(3-methylphenyl)acetamide
CID 872481

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide (CID 1345979) is (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1.
What is the InChIKey of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide?
The InChIKey is PIWSGATWUVNMPY-IZZDOVSWSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-12(21)20-25(23,24)15-9-7-14(8-10-15)19-17(22)11-6-13-4-2-3-5-16(13)18/h2-11H,1H3,(H,19,22)(H,20,21)/b11-6+.
What are the key properties of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide?
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide has a molecular weight of 378.84 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 1345979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).