2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide

C13H17NO4S — CID 47019548

IUPAC2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C13H17NO4S/c1-19(16,17)12-7-3-2-6-11(12)13(15)14-9-10-5-4-8-18-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,14,15)
InChIKeyWKPQWUDBBAVSSF-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.00
Rot. Bonds4

About 2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide

2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 47019548) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID47019548
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C13H17NO4S/c1-19(16,17)12-7-3-2-6-11(12)13(15)14-9-10-5-4-8-18-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,14,15)
InChIKeyWKPQWUDBBAVSSF-UHFFFAOYSA-N
XLogP1.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide (CID 47019548) is 2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide is CS(=O)(=O)c1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is WKPQWUDBBAVSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-19(16,17)12-7-3-2-6-11(12)13(15)14-9-10-5-4-8-18-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,14,15).
What are the key properties of 2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide?
2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 283.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 47019548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).