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

C16H11Cl2N3O3S — CID 1070933

IUPAC(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H11Cl2N3O3S/c17-12-2-1-10(15(18)8-12)7-11(9-19)16(22)21-13-3-5-14(6-4-13)25(20,23)24/h1-8H,(H,21,22)(H2,20,23,24)/b11-7+
InChIKeyLEEOVQVTACFZCO-YRNVUSSQSA-N
MW396.26 g/mol
LogP3.19
Rot. Bonds4

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

(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 1070933) has the molecular formula C16H11Cl2N3O3S and a molecular weight of 396.26 g/mol. Its IUPAC name is (E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID1070933
Molecular FormulaC16H11Cl2N3O3S
Molecular Weight396.26 g/mol
Exact Mass394.99
IUPAC Name(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H11Cl2N3O3S/c17-12-2-1-10(15(18)8-12)7-11(9-19)16(22)21-13-3-5-14(6-4-13)25(20,23)24/h1-8H,(H,21,22)(H2,20,23,24)/b11-7+
InChIKeyLEEOVQVTACFZCO-YRNVUSSQSA-N
XLogP3.19
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
(2E)-3-(2-chlorophenyl)-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2520594
(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
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
(E)-3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 2672927
2,4-dichloro-N-[4-(dimethylamino)phenyl]sulfonylbenzamide
CID 11211004
2,5-dichloro-N-(4-sulfamoylphenyl)benzamide
CID 669678
2-(4-chlorophenyl)-N-(4-sulfamoylphenyl)acetamide
CID 670087
(2E)-2-cyano-3-(2,4-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 685351
2,6-dichloro-N-(4-sulfamoylphenyl)benzamide
CID 798705
(2E)-3-(2-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 809665

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 1070933) is (E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is LEEOVQVTACFZCO-YRNVUSSQSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3S/c17-12-2-1-10(15(18)8-12)7-11(9-19)16(22)21-13-3-5-14(6-4-13)25(20,23)24/h1-8H,(H,21,22)(H2,20,23,24)/b11-7+.
What are the key properties of (E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 396.26 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(2,4-dichlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 1070933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).