3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide

C21H20ClN3O5S2 — CID 55711291

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Nc1ccccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H20ClN3O5S2/c1-31(27,28)24-19-11-4-2-7-16(19)14-23-21(26)15-8-6-9-17(13-15)32(29,30)25-20-12-5-3-10-18(20)22/h2-13,24-25H,14H2,1H3,(H,23,26)
InChIKeyUHRKOUHNNVHDER-UHFFFAOYSA-N
MW493.99 g/mol
LogP3.44
Rot. Bonds8

About 3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide

3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide (PubChem CID 55711291) has the molecular formula C21H20ClN3O5S2 and a molecular weight of 493.99 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
PubChem CID55711291
Molecular FormulaC21H20ClN3O5S2
Molecular Weight493.99 g/mol
Exact Mass493.05
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Nc1ccccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C21H20ClN3O5S2/c1-31(27,28)24-19-11-4-2-7-16(19)14-23-21(26)15-8-6-9-17(13-15)32(29,30)25-20-12-5-3-10-18(20)22/h2-13,24-25H,14H2,1H3,(H,23,26)
InChIKeyUHRKOUHNNVHDER-UHFFFAOYSA-N
XLogP3.44
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55711315
3-[(2-chlorophenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 30859194
3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide
CID 97012345
3-[(2-ethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063665
N-[3-[benzyl(methyl)amino]propyl]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 31588662
N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide
CID 109064737
3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 43016560
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
3-[(2-chlorophenyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 32735630
3-[(butanoylamino)carbamoyl]-N-(2-chlorophenyl)benzenesulfonamide
CID 24540511

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide (CID 55711291) is 3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide is CS(=O)(=O)Nc1ccccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide?
The InChIKey is UHRKOUHNNVHDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O5S2/c1-31(27,28)24-19-11-4-2-7-16(19)14-23-21(26)15-8-6-9-17(13-15)32(29,30)25-20-12-5-3-10-18(20)22/h2-13,24-25H,14H2,1H3,(H,23,26).
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide has a molecular weight of 493.99 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide is sourced from PubChem (CID 55711291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).