N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide

C21H18BrClN2O3S — CID 126414226

IUPACN-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(C)c3)ccc2Cl)c1
InChIInChI=1S/C21H18BrClN2O3S/c1-13-4-3-5-17(10-13)25-29(27,28)20-12-15(6-9-19(20)23)21(26)24-16-7-8-18(22)14(2)11-16/h3-12,25H,1-2H3,(H,24,26)
InChIKeyJTLNCVYEQNBUQM-UHFFFAOYSA-N
MW493.81 g/mol
LogP5.77
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide

N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 126414226) has the molecular formula C21H18BrClN2O3S and a molecular weight of 493.81 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID126414226
Molecular FormulaC21H18BrClN2O3S
Molecular Weight493.81 g/mol
Exact Mass491.99
IUPAC NameN-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(C)c3)ccc2Cl)c1
InChIInChI=1S/C21H18BrClN2O3S/c1-13-4-3-5-17(10-13)25-29(27,28)20-12-15(6-9-19(20)23)21(26)24-16-7-8-18(22)14(2)11-16/h3-12,25H,1-2H3,(H,24,26)
InChIKeyJTLNCVYEQNBUQM-UHFFFAOYSA-N
XLogP5.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.81
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126415021
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3483233
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26691813
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284
N-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3920897
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126387201
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 4846593
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 126414226) is N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(C)c3)ccc2Cl)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is JTLNCVYEQNBUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrClN2O3S/c1-13-4-3-5-17(10-13)25-29(27,28)20-12-15(6-9-19(20)23)21(26)24-16-7-8-18(22)14(2)11-16/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide?
N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 493.81 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 126414226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).