3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide

C20H17BrN2O3S — CID 26538067

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C20H17BrN2O3S/c1-14-5-2-3-8-19(14)22-20(24)15-6-4-7-17(13-15)23-27(25,26)18-11-9-16(21)10-12-18/h2-13,23H,1H3,(H,22,24)
InChIKeyDHCWDKMTJDPWMR-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.81
Rot. Bonds5

About 3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide

3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide (PubChem CID 26538067) has the molecular formula C20H17BrN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
PubChem CID26538067
Molecular FormulaC20H17BrN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.01
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C20H17BrN2O3S/c1-14-5-2-3-8-19(14)22-20(24)15-6-4-7-17(13-15)23-27(25,26)18-11-9-16(21)10-12-18/h2-13,23H,1H3,(H,22,24)
InChIKeyDHCWDKMTJDPWMR-UHFFFAOYSA-N
XLogP4.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide
CID 35033473
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 109065704
N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide
CID 51545693
3-(benzenesulfonamido)-N-(2-hydroxyphenyl)benzamide
CID 35979337
N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide
CID 109061685
3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide
CID 1081936
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 9342427
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 142804944

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide (CID 26538067) is 3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide?
The InChIKey is DHCWDKMTJDPWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3S/c1-14-5-2-3-8-19(14)22-20(24)15-6-4-7-17(13-15)23-27(25,26)18-11-9-16(21)10-12-18/h2-13,23H,1H3,(H,22,24).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide?
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide has a molecular weight of 445.34 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 26538067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).