4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

C15H16N2O3S — CID 967339

IUPAC4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2C)cc1
InChIInChI=1S/C15H16N2O3S/c1-10-3-7-13(8-4-10)17-21(19,20)14-9-12(15(16)18)6-5-11(14)2/h3-9,17H,1-2H3,(H2,16,18)
InChIKeyIATVQFUORIUUJZ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.20
Rot. Bonds4

About 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 967339) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID967339
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2C)cc1
InChIInChI=1S/C15H16N2O3S/c1-10-3-7-13(8-4-10)17-21(19,20)14-9-12(15(16)18)6-5-11(14)2/h3-9,17H,1-2H3,(H2,16,18)
InChIKeyIATVQFUORIUUJZ-UHFFFAOYSA-N
XLogP2.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 967339) is 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2C)cc1.
What is the InChIKey of 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is IATVQFUORIUUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-3-7-13(8-4-10)17-21(19,20)14-9-12(15(16)18)6-5-11(14)2/h3-9,17H,1-2H3,(H2,16,18).
What are the key properties of 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 304.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 967339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).