4-methylsulfonylbenzamide

C8H9NO3S — CID 15640625

IUPAC4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C8H9NO3S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKeyLHKNFPQRVQCNQY-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.19
Rot. Bonds2

About 4-methylsulfonylbenzamide

4-methylsulfonylbenzamide (PubChem CID 15640625) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-methylsulfonylbenzamide
PubChem CID15640625
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C8H9NO3S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKeyLHKNFPQRVQCNQY-UHFFFAOYSA-N
XLogP0.19
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylbenzamide?
The IUPAC name of 4-methylsulfonylbenzamide (CID 15640625) is 4-methylsulfonylbenzamide.
What is the SMILES notation for 4-methylsulfonylbenzamide?
The canonical SMILES for 4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-methylsulfonylbenzamide?
The InChIKey is LHKNFPQRVQCNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10).
What are the key properties of 4-methylsulfonylbenzamide?
4-methylsulfonylbenzamide has a molecular weight of 199.23 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylbenzamide is sourced from PubChem (CID 15640625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).