N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide

C22H21BrN2O3S — CID 26524233

IUPACN-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C22H21BrN2O3S/c1-3-25(18-9-5-4-6-10-18)29(27,28)19-11-7-8-17(15-19)22(26)24-21-13-12-16(2)14-20(21)23/h4-15H,3H2,1-2H3,(H,24,26)
InChIKeyZTOMBTHXGHDEER-UHFFFAOYSA-N
MW473.39 g/mol
LogP5.23
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide

N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 26524233) has the molecular formula C22H21BrN2O3S and a molecular weight of 473.39 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID26524233
Molecular FormulaC22H21BrN2O3S
Molecular Weight473.39 g/mol
Exact Mass472.05
IUPAC NameN-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C22H21BrN2O3S/c1-3-25(18-9-5-4-6-10-18)29(27,28)19-11-7-8-17(15-19)22(26)24-21-13-12-16(2)14-20(21)23/h4-15H,3H2,1-2H3,(H,24,26)
InChIKeyZTOMBTHXGHDEER-UHFFFAOYSA-N
XLogP5.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.39
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 35727860
N-ethyl-3-[[(4-methylbenzoyl)amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2421051
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2600003
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
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3-[ethyl(phenyl)sulfamoyl]-N-(2-propoxyphenyl)benzamide
CID 112793585
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805
N-(4-bromo-2-fluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17469619
3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 55510278
[2-(3-methylanilino)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 2579741
3-[ethyl(phenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55382613
N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
CID 4119863

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide (CID 26524233) is N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is ZTOMBTHXGHDEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3S/c1-3-25(18-9-5-4-6-10-18)29(27,28)19-11-7-8-17(15-19)22(26)24-21-13-12-16(2)14-20(21)23/h4-15H,3H2,1-2H3,(H,24,26).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 473.39 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 26524233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).