N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide

C22H22N2O3S — CID 109061685

IUPACN-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3C)cc2)c1
InChIInChI=1S/C22H22N2O3S/c1-15-6-4-8-19(14-15)24-28(26,27)20-12-10-18(11-13-20)22(25)23-21-9-5-7-16(2)17(21)3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyWYMKWCBOLCSOSV-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.66
Rot. Bonds5

About N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide

N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 109061685) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID109061685
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3C)cc2)c1
InChIInChI=1S/C22H22N2O3S/c1-15-6-4-8-19(14-15)24-28(26,27)20-12-10-18(11-13-20)22(25)23-21-9-5-7-16(2)17(21)3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyWYMKWCBOLCSOSV-UHFFFAOYSA-N
XLogP4.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 8015612
N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 9342427
N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 7161193
N-(2,3-dimethylphenyl)-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 26538532
N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109061734
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 142804944
N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9413988
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-fluoro-2-methylphenyl)benzamide
CID 7908370
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide (CID 109061685) is N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3C)cc2)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is WYMKWCBOLCSOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-6-4-8-19(14-15)24-28(26,27)20-12-10-18(11-13-20)22(25)23-21-9-5-7-16(2)17(21)3/h4-14,24H,1-3H3,(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide?
N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109061685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).