N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide

C23H22ClN3O4S — CID 25247329

IUPACN-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1
InChIInChI=1S/C23H22ClN3O4S/c1-14-7-8-15(2)21(11-14)27-32(30,31)22-12-17(9-10-20(22)24)23(29)26-19-6-4-5-18(13-19)25-16(3)28/h4-13,27H,1-3H3,(H,25,28)(H,26,29)
InChIKeyXUCZGIBSNILYOY-UHFFFAOYSA-N
MW471.97 g/mol
LogP4.97
Rot. Bonds6

About N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide

N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 25247329) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
PubChem CID25247329
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC NameN-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1
InChIInChI=1S/C23H22ClN3O4S/c1-14-7-8-15(2)21(11-14)27-32(30,31)22-12-17(9-10-20(22)24)23(29)26-19-6-4-5-18(13-19)25-16(3)28/h4-13,27H,1-3H3,(H,25,28)(H,26,29)
InChIKeyXUCZGIBSNILYOY-UHFFFAOYSA-N
XLogP4.97
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126412486
N-(3,4-dichlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415286
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 2980254
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 126415438
N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414226
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 126388378

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide (CID 25247329) is N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide is CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is XUCZGIBSNILYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c1-14-7-8-15(2)21(11-14)27-32(30,31)22-12-17(9-10-20(22)24)23(29)26-19-6-4-5-18(13-19)25-16(3)28/h4-13,27H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 471.97 g/mol, XLogP of 4.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 25247329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).