3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide

C21H19ClN2O4S — CID 24536240

IUPAC3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C21H19ClN2O4S/c1-28-18-10-8-17(9-11-18)24-21(25)16-7-12-19(22)20(13-16)29(26,27)23-14-15-5-3-2-4-6-15/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyXWQAXCYANWMGNW-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.08
Rot. Bonds7

About 3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide

3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide (PubChem CID 24536240) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
PubChem CID24536240
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC Name3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C21H19ClN2O4S/c1-28-18-10-8-17(9-11-18)24-21(25)16-7-12-19(22)20(13-16)29(26,27)23-14-15-5-3-2-4-6-15/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyXWQAXCYANWMGNW-UHFFFAOYSA-N
XLogP4.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-chloro-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24553911
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
CID 52563097
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 27228973
4-chloro-3-(methylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 9413651
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide
CID 60589876
3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 24635072
3-(benzylsulfamoyl)-4-chloro-N-(5-methyl-2-pyridinyl)benzamide
CID 55370754
N-[2-(benzylamino)-2-oxoethyl]-3-(benzylsulfamoyl)-4-chlorobenzamide
CID 38639374
[2-(4-hydroxyanilino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 27908389

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide (CID 24536240) is 3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide?
The InChIKey is XWQAXCYANWMGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c1-28-18-10-8-17(9-11-18)24-21(25)16-7-12-19(22)20(13-16)29(26,27)23-14-15-5-3-2-4-6-15/h2-13,23H,14H2,1H3,(H,24,25).
What are the key properties of 3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide?
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide has a molecular weight of 430.91 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 24536240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).