2-(methylsulfonylmethoxy)benzamide

C9H11NO4S — CID 118665617

IUPAC2-(methylsulfonylmethoxy)benzamide
SMILESCS(=O)(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C9H11NO4S/c1-15(12,13)6-14-8-5-3-2-4-7(8)9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKeyAQHQVKPUUCKYNN-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.17
Rot. Bonds4

About 2-(methylsulfonylmethoxy)benzamide

2-(methylsulfonylmethoxy)benzamide (PubChem CID 118665617) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(methylsulfonylmethoxy)benzamide.

Molecular Properties

Compound Name2-(methylsulfonylmethoxy)benzamide
PubChem CID118665617
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-(methylsulfonylmethoxy)benzamide
SMILESCS(=O)(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C9H11NO4S/c1-15(12,13)6-14-8-5-3-2-4-7(8)9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKeyAQHQVKPUUCKYNN-UHFFFAOYSA-N
XLogP0.17
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid
CID 172768099
2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide
CID 51097857
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-(2-oxoethoxy)benzamide
CID 21273663
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-but-2-ynoxybenzamide
CID 177469094
1-(2-ethoxyphenyl)-2-methylsulfonylethanone
CID 62784939
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonylmethoxy)benzamide?
The IUPAC name of 2-(methylsulfonylmethoxy)benzamide (CID 118665617) is 2-(methylsulfonylmethoxy)benzamide.
What is the SMILES notation for 2-(methylsulfonylmethoxy)benzamide?
The canonical SMILES for 2-(methylsulfonylmethoxy)benzamide is CS(=O)(=O)COc1ccccc1C(N)=O.
What is the InChIKey of 2-(methylsulfonylmethoxy)benzamide?
The InChIKey is AQHQVKPUUCKYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-15(12,13)6-14-8-5-3-2-4-7(8)9(10)11/h2-5H,6H2,1H3,(H2,10,11).
What are the key properties of 2-(methylsulfonylmethoxy)benzamide?
2-(methylsulfonylmethoxy)benzamide has a molecular weight of 229.26 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonylmethoxy)benzamide is sourced from PubChem (CID 118665617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).