3-methyl-N-(4-methylphenyl)sulfonylbenzamide

C15H15NO3S — CID 973097

IUPAC3-methyl-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C15H15NO3S/c1-11-6-8-14(9-7-11)20(18,19)16-15(17)13-5-3-4-12(2)10-13/h3-10H,1-2H3,(H,16,17)
InChIKeyWIMGBACUPNNDSC-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.42
Rot. Bonds3

About 3-methyl-N-(4-methylphenyl)sulfonylbenzamide

3-methyl-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 973097) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID973097
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name3-methyl-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C15H15NO3S/c1-11-6-8-14(9-7-11)20(18,19)16-15(17)13-5-3-4-12(2)10-13/h3-10H,1-2H3,(H,16,17)
InChIKeyWIMGBACUPNNDSC-UHFFFAOYSA-N
XLogP2.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)sulfonylbenzamide (CID 973097) is 3-methyl-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is WIMGBACUPNNDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-11-6-8-14(9-7-11)20(18,19)16-15(17)13-5-3-4-12(2)10-13/h3-10H,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-(4-methylphenyl)sulfonylbenzamide?
3-methyl-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 289.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 973097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).