N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide

C23H21ClN2O4S — CID 2404495

IUPACN-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)c1
InChIInChI=1S/C23H21ClN2O4S/c1-16(27)18-9-6-10-19(13-18)25-23(28)21-14-20(11-12-22(21)24)31(29,30)26(2)15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyCRNUXMBNRUJNBD-UHFFFAOYSA-N
MW456.95 g/mol
LogP4.62
Rot. Bonds7

About N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide

N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide (PubChem CID 2404495) has the molecular formula C23H21ClN2O4S and a molecular weight of 456.95 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide
PubChem CID2404495
Molecular FormulaC23H21ClN2O4S
Molecular Weight456.95 g/mol
Exact Mass456.09
IUPAC NameN-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)c1
InChIInChI=1S/C23H21ClN2O4S/c1-16(27)18-9-6-10-19(13-18)25-23(28)21-14-20(11-12-22(21)24)31(29,30)26(2)15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyCRNUXMBNRUJNBD-UHFFFAOYSA-N
XLogP4.62
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 134059345
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-dibenzofuran-2-ylbenzamide
CID 16552391
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
N-benzyl-5-[benzyl(methyl)sulfamoyl]-2-chloro-N-methylbenzamide
CID 24539973
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 4801481
N-(3-acetylphenyl)-2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 2711528
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide
CID 1025638
4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 23885342
4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
CID 23825383
N-(2-amino-2-oxo-1-phenylethyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide
CID 17425706
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide
CID 16548325

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide?
The IUPAC name of N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide (CID 2404495) is N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide?
The canonical SMILES for N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide is CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide?
The InChIKey is CRNUXMBNRUJNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4S/c1-16(27)18-9-6-10-19(13-18)25-23(28)21-14-20(11-12-22(21)24)31(29,30)26(2)15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide?
N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide has a molecular weight of 456.95 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide is sourced from PubChem (CID 2404495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).