3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide

C21H20N2O3S — CID 109065673

IUPAC3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C21H20N2O3S/c1-15-11-12-16(2)20(13-15)23-27(25,26)19-10-6-7-17(14-19)21(24)22-18-8-4-3-5-9-18/h3-14,23H,1-2H3,(H,22,24)
InChIKeyNEHWQNIDNQGLLL-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.36
Rot. Bonds5

About 3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide

3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide (PubChem CID 109065673) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
PubChem CID109065673
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C21H20N2O3S/c1-15-11-12-16(2)20(13-15)23-27(25,26)19-10-6-7-17(14-19)21(24)22-18-8-4-3-5-9-18/h3-14,23H,1-2H3,(H,22,24)
InChIKeyNEHWQNIDNQGLLL-UHFFFAOYSA-N
XLogP4.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109065763
3-[(4-methyl-2-pyridinyl)sulfamoyl]-N-phenylbenzamide
CID 27187007
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
3-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 46635900
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 90681061
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide (CID 109065673) is 3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide is Cc1ccc(C)c(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide?
The InChIKey is NEHWQNIDNQGLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-15-11-12-16(2)20(13-15)23-27(25,26)19-10-6-7-17(14-19)21(24)22-18-8-4-3-5-9-18/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide?
3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide has a molecular weight of 380.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide is sourced from PubChem (CID 109065673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).