5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide

C27H28ClN3O4S — CID 16548325

IUPAC5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)NC2CCCC2)c1
InChIInChI=1S/C27H28ClN3O4S/c1-31(18-19-9-3-2-4-10-19)36(34,35)21-15-16-24(28)23(17-21)27(33)30-25-14-8-7-13-22(25)26(32)29-20-11-5-6-12-20/h2-4,7-10,13-17,20H,5-6,11-12,18H2,1H3,(H,29,32)(H,30,33)
InChIKeyFPUQVJFNGXFICM-UHFFFAOYSA-N
MW526.06 g/mol
LogP5.09
Rot. Bonds8

About 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide

5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide (PubChem CID 16548325) has the molecular formula C27H28ClN3O4S and a molecular weight of 526.06 g/mol. Its IUPAC name is 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide
PubChem CID16548325
Molecular FormulaC27H28ClN3O4S
Molecular Weight526.06 g/mol
Exact Mass525.15
IUPAC Name5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)NC2CCCC2)c1
InChIInChI=1S/C27H28ClN3O4S/c1-31(18-19-9-3-2-4-10-19)36(34,35)21-15-16-24(28)23(17-21)27(33)30-25-14-8-7-13-22(25)26(32)29-20-11-5-6-12-20/h2-4,7-10,13-17,20H,5-6,11-12,18H2,1H3,(H,29,32)(H,30,33)
InChIKeyFPUQVJFNGXFICM-UHFFFAOYSA-N
XLogP5.09
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.06
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide
CID 41013038
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 3879149
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 4801481
N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide
CID 2404495
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296
2-[[4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]benzoyl]amino]-N-cyclohexylbenzamide
CID 126030596
N-benzyl-5-[benzyl(methyl)sulfamoyl]-2-chloro-N-methylbenzamide
CID 24539973
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
N-(2-acetylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 4800969
N-cyclohexyl-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51362649

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide?
The IUPAC name of 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide (CID 16548325) is 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)NC2CCCC2)c1.
What is the InChIKey of 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide?
The InChIKey is FPUQVJFNGXFICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O4S/c1-31(18-19-9-3-2-4-10-19)36(34,35)21-15-16-24(28)23(17-21)27(33)30-25-14-8-7-13-22(25)26(32)29-20-11-5-6-12-20/h2-4,7-10,13-17,20H,5-6,11-12,18H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide?
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide has a molecular weight of 526.06 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 16548325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).