3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide

C21H19ClN2O3S — CID 26637708

IUPAC3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c(Cl)c1
InChIInChI=1S/C21H19ClN2O3S/c1-15-10-11-20(19(22)12-15)24-21(25)17-8-5-9-18(13-17)28(26,27)23-14-16-6-3-2-4-7-16/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyCZCWVLQAPWJRFJ-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.38
Rot. Bonds6

About 3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide

3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide (PubChem CID 26637708) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide
PubChem CID26637708
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c(Cl)c1
InChIInChI=1S/C21H19ClN2O3S/c1-15-10-11-20(19(22)12-15)24-21(25)17-8-5-9-18(13-17)28(26,27)23-14-16-6-3-2-4-7-16/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyCZCWVLQAPWJRFJ-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

3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-(2-chlorophenyl)-3-(ethylsulfamoyl)benzamide
CID 26574954
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
CID 30281742
3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948834
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide
CID 60588277
N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide
CID 55659262
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26698365

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide (CID 26637708) is 3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c(Cl)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide?
The InChIKey is CZCWVLQAPWJRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-15-10-11-20(19(22)12-15)24-21(25)17-8-5-9-18(13-17)28(26,27)23-14-16-6-3-2-4-7-16/h2-13,23H,14H2,1H3,(H,24,25).
What are the key properties of 3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide?
3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide 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 3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide is sourced from PubChem (CID 26637708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).