4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide

C12H13NO5S — CID 2999513

IUPAC4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC2CCOC2=O)cc1
InChIInChI=1S/C12H13NO5S/c1-19(16,17)9-4-2-8(3-5-9)11(14)13-10-6-7-18-12(10)15/h2-5,10H,6-7H2,1H3,(H,13,14)
InChIKeyBOZHSDAETUXGRF-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.14
Rot. Bonds3

About 4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide

4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide (PubChem CID 2999513) has the molecular formula C12H13NO5S and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide
PubChem CID2999513
Molecular FormulaC12H13NO5S
Molecular Weight283.31 g/mol
Exact Mass283.05
IUPAC Name4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC2CCOC2=O)cc1
InChIInChI=1S/C12H13NO5S/c1-19(16,17)9-4-2-8(3-5-9)11(14)13-10-6-7-18-12(10)15/h2-5,10H,6-7H2,1H3,(H,13,14)
InChIKeyBOZHSDAETUXGRF-UHFFFAOYSA-N
XLogP0.14
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide?
The IUPAC name of 4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide (CID 2999513) is 4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide?
The canonical SMILES for 4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide is CS(=O)(=O)c1ccc(C(=O)NC2CCOC2=O)cc1.
What is the InChIKey of 4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide?
The InChIKey is BOZHSDAETUXGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S/c1-19(16,17)9-4-2-8(3-5-9)11(14)13-10-6-7-18-12(10)15/h2-5,10H,6-7H2,1H3,(H,13,14).
What are the key properties of 4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide?
4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide has a molecular weight of 283.31 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(2-oxooxolan-3-yl)benzamide is sourced from PubChem (CID 2999513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).