4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide

C23H17Cl2N3O3S — CID 26683589

IUPAC4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)cc2)ccc1Cl
InChIInChI=1S/C23H17Cl2N3O3S/c1-2-13-28(21-6-4-3-5-19(21)24)32(30,31)22-14-17(9-12-20(22)25)23(29)27-18-10-7-16(15-26)8-11-18/h2-12,14H,1,13H2,(H,27,29)
InChIKeyBLWJNPITQBMSTN-UHFFFAOYSA-N
MW486.38 g/mol
LogP5.50
Rot. Bonds7

About 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide

4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide (PubChem CID 26683589) has the molecular formula C23H17Cl2N3O3S and a molecular weight of 486.38 g/mol. Its IUPAC name is 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide
PubChem CID26683589
Molecular FormulaC23H17Cl2N3O3S
Molecular Weight486.38 g/mol
Exact Mass485.04
IUPAC Name4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)cc2)ccc1Cl
InChIInChI=1S/C23H17Cl2N3O3S/c1-2-13-28(21-6-4-3-5-19(21)24)32(30,31)22-14-17(9-12-20(22)25)23(29)27-18-10-7-16(15-26)8-11-18/h2-12,14H,1,13H2,(H,27,29)
InChIKeyBLWJNPITQBMSTN-UHFFFAOYSA-N
XLogP5.50
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.38
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide
CID 2448420
N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26253060
4-chloro-N-(2-chlorophenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26575051
(4-chlorophenyl) 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2667252
N-(1-tert-butyl-4-cyanopyrrol-2-yl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 112844113
5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 26591753
(4-cyanophenyl) 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2409931
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
CID 52754440
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
CID 32736718
4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 35029142
2-chloro-N-(4-cyanophenyl)-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 2340317

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide?
The IUPAC name of 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide (CID 26683589) is 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide is C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide?
The InChIKey is BLWJNPITQBMSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3S/c1-2-13-28(21-6-4-3-5-19(21)24)32(30,31)22-14-17(9-12-20(22)25)23(29)27-18-10-7-16(15-26)8-11-18/h2-12,14H,1,13H2,(H,27,29).
What are the key properties of 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide?
4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide has a molecular weight of 486.38 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(4-cyanophenyl)benzamide is sourced from PubChem (CID 26683589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).