5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide

C20H16BrClN2O3S — CID 26896379

IUPAC5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C20H16BrClN2O3S/c1-24(16-7-3-2-4-8-16)28(26,27)17-9-5-6-15(13-17)23-20(25)18-12-14(21)10-11-19(18)22/h2-13H,1H3,(H,23,25)
InChIKeyCZKUURPAXDBMTK-UHFFFAOYSA-N
MW479.78 g/mol
LogP5.18
Rot. Bonds5

About 5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide

5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide (PubChem CID 26896379) has the molecular formula C20H16BrClN2O3S and a molecular weight of 479.78 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
PubChem CID26896379
Molecular FormulaC20H16BrClN2O3S
Molecular Weight479.78 g/mol
Exact Mass477.98
IUPAC Name5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C20H16BrClN2O3S/c1-24(16-7-3-2-4-8-16)28(26,27)17-9-5-6-15(13-17)23-20(25)18-12-14(21)10-11-19(18)22/h2-13H,1H3,(H,23,25)
InChIKeyCZKUURPAXDBMTK-UHFFFAOYSA-N
XLogP5.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.78
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide
CID 17455691
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 3988955
2-ethoxy-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 18075070
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 17396939
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4290143
1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78889852
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 35186261
2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide
CID 126272189
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 78794689

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide (CID 26896379) is 5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is CZKUURPAXDBMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O3S/c1-24(16-7-3-2-4-8-16)28(26,27)17-9-5-6-15(13-17)23-20(25)18-12-14(21)10-11-19(18)22/h2-13H,1H3,(H,23,25).
What are the key properties of 5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide?
5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 479.78 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 26896379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).