3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide

C23H22ClN3O3S — CID 112761323

IUPAC3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC(C)c2ccncc2)c1
InChIInChI=1S/C23H22ClN3O3S/c1-3-15-27(22-10-5-4-9-21(22)24)31(29,30)20-8-6-7-19(16-20)23(28)26-17(2)18-11-13-25-14-12-18/h3-14,16-17H,1,15H2,2H3,(H,26,28)
InChIKeyIWFUFNDRWKUIIY-UHFFFAOYSA-N
MW455.97 g/mol
LogP4.61
Rot. Bonds8

About 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide

3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 112761323) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID112761323
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC Name3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC(C)c2ccncc2)c1
InChIInChI=1S/C23H22ClN3O3S/c1-3-15-27(22-10-5-4-9-21(22)24)31(29,30)20-8-6-7-19(16-20)23(28)26-17(2)18-11-13-25-14-12-18/h3-14,16-17H,1,15H2,2H3,(H,26,28)
InChIKeyIWFUFNDRWKUIIY-UHFFFAOYSA-N
XLogP4.61
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.61
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-chlorophenyl)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 30131964
N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 26095075
N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 43002903
N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3357015
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 2496817
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 55561000
N-(1-tert-butyl-4-cyanopyrrol-2-yl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 112844113
N-(2-chlorophenyl)-3-(3-methylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 86878865
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 55601956
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 55339846
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 39735531

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide (CID 112761323) is 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide is C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC(C)c2ccncc2)c1.
What is the InChIKey of 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is IWFUFNDRWKUIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c1-3-15-27(22-10-5-4-9-21(22)24)31(29,30)20-8-6-7-19(16-20)23(28)26-17(2)18-11-13-25-14-12-18/h3-14,16-17H,1,15H2,2H3,(H,26,28).
What are the key properties of 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide?
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 455.97 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 112761323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).