N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide

C23H20Cl2N2O4S — CID 26095075

IUPACN-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C23H20Cl2N2O4S/c1-3-13-27(21-10-5-4-9-19(21)25)32(29,30)18-8-6-7-16(14-18)23(28)26-20-15-17(24)11-12-22(20)31-2/h3-12,14-15H,1,13H2,2H3,(H,26,28)
InChIKeyIJSVKSZRBBYCFW-UHFFFAOYSA-N
MW491.40 g/mol
LogP5.64
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide

N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide (PubChem CID 26095075) has the molecular formula C23H20Cl2N2O4S and a molecular weight of 491.40 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
PubChem CID26095075
Molecular FormulaC23H20Cl2N2O4S
Molecular Weight491.40 g/mol
Exact Mass490.05
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C23H20Cl2N2O4S/c1-3-13-27(21-10-5-4-9-19(21)25)32(29,30)18-8-6-7-16(14-18)23(28)26-20-15-17(24)11-12-22(20)31-2/h3-12,14-15H,1,13H2,2H3,(H,26,28)
InChIKeyIJSVKSZRBBYCFW-UHFFFAOYSA-N
XLogP5.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.40
LogP ≤ 55.64
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

N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2082409
3-chloro-N-(2-chlorophenyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100510758
N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100542077
N-(5-chloro-2-methoxyphenyl)-3-(ethylsulfamoyl)benzamide
CID 26582371
N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 43002903
N-(2-chlorophenyl)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 30131964
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide
CID 112761323
N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 26094766
N-(1-tert-butyl-4-cyanopyrrol-2-yl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 112844113
N-(3-acetylphenyl)-2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 2711528
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-ethylphenyl)benzamide
CID 46540697
(4-cyanophenyl) 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2409931

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide (CID 26095075) is N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide is C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OC)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The InChIKey is IJSVKSZRBBYCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O4S/c1-3-13-27(21-10-5-4-9-19(21)25)32(29,30)18-8-6-7-16(14-18)23(28)26-20-15-17(24)11-12-22(20)31-2/h3-12,14-15H,1,13H2,2H3,(H,26,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide has a molecular weight of 491.40 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide is sourced from PubChem (CID 26095075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).