5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide

C21H19ClN2O3S — CID 30281742

IUPAC5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H19ClN2O3S/c1-15-11-12-17(28(26,27)23-14-16-7-3-2-4-8-16)13-18(15)21(25)24-20-10-6-5-9-19(20)22/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyZJGMDXRELQOZHH-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.38
Rot. Bonds6

About 5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide

5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide (PubChem CID 30281742) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
PubChem CID30281742
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H19ClN2O3S/c1-15-11-12-17(28(26,27)23-14-16-7-3-2-4-8-16)13-18(15)21(25)24-20-10-6-5-9-19(20)22/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyZJGMDXRELQOZHH-UHFFFAOYSA-N
XLogP4.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(benzylsulfamoyl)-2-methyl-N-(2-methylbutan-2-yl)benzamide
CID 46554762
5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
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5-(benzylsulfamoyl)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide (CID 30281742) is 5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccccc1Cl.
What is the InChIKey of 5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide?
The InChIKey is ZJGMDXRELQOZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-15-11-12-17(28(26,27)23-14-16-7-3-2-4-8-16)13-18(15)21(25)24-20-10-6-5-9-19(20)22/h2-13,23H,14H2,1H3,(H,24,25).
What are the key properties of 5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide?
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide has a molecular weight of 414.91 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide is sourced from PubChem (CID 30281742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).