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

C16H14Cl2N2O3S — CID 9141161

IUPAC(E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cccc(Cl)c2Cl)cc1S(N)(=O)=O
InChIInChI=1S/C16H14Cl2N2O3S/c1-10-5-7-12(9-14(10)24(19,22)23)20-15(21)8-6-11-3-2-4-13(17)16(11)18/h2-9H,1H3,(H,20,21)(H2,19,22,23)/b8-6+
InChIKeyNCAATJFCQSEPPL-SOFGYWHQSA-N
MW385.27 g/mol
LogP3.60
Rot. Bonds4

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

(E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide (PubChem CID 9141161) has the molecular formula C16H14Cl2N2O3S and a molecular weight of 385.27 g/mol. Its IUPAC name is (E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
PubChem CID9141161
Molecular FormulaC16H14Cl2N2O3S
Molecular Weight385.27 g/mol
Exact Mass384.01
IUPAC Name(E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cccc(Cl)c2Cl)cc1S(N)(=O)=O
InChIInChI=1S/C16H14Cl2N2O3S/c1-10-5-7-12(9-14(10)24(19,22)23)20-15(21)8-6-11-3-2-4-13(17)16(11)18/h2-9H,1H3,(H,20,21)(H2,19,22,23)/b8-6+
InChIKeyNCAATJFCQSEPPL-SOFGYWHQSA-N
XLogP3.60
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.60
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-(2,4-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140856
(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140915
(E)-3-(2,3-dimethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140940
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 55510584
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 43019548
N-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide
CID 75842438
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methylphenyl]prop-2-enamide
CID 6234801
(E)-3-(2,4-dichlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 9107077
2-chloro-4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 55877500
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9141132
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 92949912
(E)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6239949

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide (CID 9141161) is (E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2cccc(Cl)c2Cl)cc1S(N)(=O)=O.
What is the InChIKey of (E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
The InChIKey is NCAATJFCQSEPPL-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S/c1-10-5-7-12(9-14(10)24(19,22)23)20-15(21)8-6-11-3-2-4-13(17)16(11)18/h2-9H,1H3,(H,20,21)(H2,19,22,23)/b8-6+.
What are the key properties of (E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
(E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide has a molecular weight of 385.27 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 9141161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).