2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide

C21H16Cl4N2O3S — CID 2344205

IUPAC2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C21H16Cl4N2O3S/c1-2-27(14-6-4-3-5-7-14)31(29,30)15-8-9-17(23)16(12-15)21(28)26-20-18(24)10-13(22)11-19(20)25/h3-12H,2H2,1H3,(H,26,28)
InChIKeyWJPORTYKWCDOEN-UHFFFAOYSA-N
MW518.25 g/mol
LogP6.77
Rot. Bonds6

About 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide

2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide (PubChem CID 2344205) has the molecular formula C21H16Cl4N2O3S and a molecular weight of 518.25 g/mol. Its IUPAC name is 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
PubChem CID2344205
Molecular FormulaC21H16Cl4N2O3S
Molecular Weight518.25 g/mol
Exact Mass515.96
IUPAC Name2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C21H16Cl4N2O3S/c1-2-27(14-6-4-3-5-7-14)31(29,30)15-8-9-17(23)16(12-15)21(28)26-20-18(24)10-13(22)11-19(20)25/h3-12H,2H2,1H3,(H,26,28)
InChIKeyWJPORTYKWCDOEN-UHFFFAOYSA-N
XLogP6.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.25
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 7959591
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide
CID 7962770
N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 134059345
2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855582
2-chloro-N-[(1R)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855589
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 55368520
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 4814342
N-[4-(1-adamantyl)phenyl]-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 4285874
(2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 20610347
2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 4798681
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4810483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide?
The IUPAC name of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide (CID 2344205) is 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide?
The canonical SMILES for 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide?
The InChIKey is WJPORTYKWCDOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl4N2O3S/c1-2-27(14-6-4-3-5-7-14)31(29,30)15-8-9-17(23)16(12-15)21(28)26-20-18(24)10-13(22)11-19(20)25/h3-12H,2H2,1H3,(H,26,28).
What are the key properties of 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide?
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide has a molecular weight of 518.25 g/mol, XLogP of 6.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide is sourced from PubChem (CID 2344205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).