2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide

C20H16BrClN2O3S — CID 126272189

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide
SMILESCN(c1ccccc1C(=O)Nc1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16BrClN2O3S/c1-24(28(26,27)15-7-3-2-4-8-15)19-10-6-5-9-16(19)20(25)23-14-11-12-17(21)18(22)13-14/h2-13H,1H3,(H,23,25)
InChIKeyJCSCQSNEQVZHLC-UHFFFAOYSA-N
MW479.78 g/mol
LogP5.18
Rot. Bonds5

About 2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide

2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide (PubChem CID 126272189) has the molecular formula C20H16BrClN2O3S and a molecular weight of 479.78 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide
PubChem CID126272189
Molecular FormulaC20H16BrClN2O3S
Molecular Weight479.78 g/mol
Exact Mass477.98
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide
SMILESCN(c1ccccc1C(=O)Nc1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16BrClN2O3S/c1-24(28(26,27)15-7-3-2-4-8-15)19-10-6-5-9-16(19)20(25)23-14-11-12-17(21)18(22)13-14/h2-13H,1H3,(H,23,25)
InChIKeyJCSCQSNEQVZHLC-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

N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide
CID 126346371
methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate
CID 21372616
ethyl 4-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoate
CID 1303909
5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 26896379
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide
CID 2209343
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide
CID 126279267
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-methylamino]benzoic acid
CID 80577082
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151
2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 1294778
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126353526
2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2207753
3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide
CID 107618385

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide (CID 126272189) is 2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide is CN(c1ccccc1C(=O)Nc1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide?
The InChIKey is JCSCQSNEQVZHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O3S/c1-24(28(26,27)15-7-3-2-4-8-15)19-10-6-5-9-16(19)20(25)23-14-11-12-17(21)18(22)13-14/h2-13H,1H3,(H,23,25).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide?
2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)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 2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide is sourced from PubChem (CID 126272189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).