(E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide

C17H16Cl2N2O3S — CID 9141558

IUPAC(E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C17H16Cl2N2O3S/c1-10-7-13(25(20,23)24)9-16(11(10)2)21-17(22)6-4-12-3-5-14(18)15(19)8-12/h3-9H,1-2H3,(H,21,22)(H2,20,23,24)/b6-4+
InChIKeyLCMSQODWPASPBI-GQCTYLIASA-N
MW399.30 g/mol
LogP3.91
Rot. Bonds4

About (E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide

(E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide (PubChem CID 9141558) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
PubChem CID9141558
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C17H16Cl2N2O3S/c1-10-7-13(25(20,23)24)9-16(11(10)2)21-17(22)6-4-12-3-5-14(18)15(19)8-12/h3-9H,1-2H3,(H,21,22)(H2,20,23,24)/b6-4+
InChIKeyLCMSQODWPASPBI-GQCTYLIASA-N
XLogP3.91
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 53.91
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)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 9141564
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 9141685
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-fluorophenyl)prop-2-enamide
CID 9141393
3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 72687476
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 16606372
(E)-3-(4-chloro-3-nitrophenyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]prop-2-enamide
CID 26978104
(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9413091
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 55506917
(E)-3-(3,4-dichlorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368313
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
CID 9241661

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide (CID 9141558) is (E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide?
The InChIKey is LCMSQODWPASPBI-GQCTYLIASA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c1-10-7-13(25(20,23)24)9-16(11(10)2)21-17(22)6-4-12-3-5-14(18)15(19)8-12/h3-9H,1-2H3,(H,21,22)(H2,20,23,24)/b6-4+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide?
(E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide has a molecular weight of 399.30 g/mol, XLogP of 3.91, 4 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-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 9141558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).