(E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide

C16H14Cl2N2O3S — CID 1313185

IUPAC(E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2N2O3S/c17-14-7-3-11(9-15(14)18)4-8-16(21)20-10-12-1-5-13(6-2-12)24(19,22)23/h1-9H,10H2,(H,20,21)(H2,19,22,23)/b8-4+
InChIKeyURJFRYCOLQKSTB-XBXARRHUSA-N
MW385.27 g/mol
LogP2.97
Rot. Bonds5

About (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide

(E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide (PubChem CID 1313185) has the molecular formula C16H14Cl2N2O3S and a molecular weight of 385.27 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
PubChem CID1313185
Molecular FormulaC16H14Cl2N2O3S
Molecular Weight385.27 g/mol
Exact Mass384.01
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2N2O3S/c17-14-7-3-11(9-15(14)18)4-8-16(21)20-10-12-1-5-13(6-2-12)24(19,22)23/h1-9H,10H2,(H,20,21)(H2,19,22,23)/b8-4+
InChIKeyURJFRYCOLQKSTB-XBXARRHUSA-N
XLogP2.97
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide (CID 1313185) is (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide is NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
The InChIKey is URJFRYCOLQKSTB-XBXARRHUSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S/c17-14-7-3-11(9-15(14)18)4-8-16(21)20-10-12-1-5-13(6-2-12)24(19,22)23/h1-9H,10H2,(H,20,21)(H2,19,22,23)/b8-4+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
(E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide has a molecular weight of 385.27 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 1313185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).