N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide

C11H13NO5S — CID 122422617

IUPACN-methylsulfonyl-3-(oxetan-3-yloxy)benzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(OC2COC2)c1
InChIInChI=1S/C11H13NO5S/c1-18(14,15)12-11(13)8-3-2-4-9(5-8)17-10-6-16-7-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKeyYBVWOKITEYAMQF-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.15
Rot. Bonds4

About N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide

N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide (PubChem CID 122422617) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide.

Molecular Properties

Compound NameN-methylsulfonyl-3-(oxetan-3-yloxy)benzamide
PubChem CID122422617
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC NameN-methylsulfonyl-3-(oxetan-3-yloxy)benzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(OC2COC2)c1
InChIInChI=1S/C11H13NO5S/c1-18(14,15)12-11(13)8-3-2-4-9(5-8)17-10-6-16-7-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKeyYBVWOKITEYAMQF-UHFFFAOYSA-N
XLogP0.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-methylsulfonylbenzamide
CID 18331681
3-bromo-N-methylsulfonylbenzamide
CID 47269279
4-[5-chloro-6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide
CID 122422515
3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide
CID 86817672
3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 146154395
N-[[3-(oxetan-3-yloxy)phenyl]methyl]hydroxylamine
CID 83484577
N-methylsulfonyl-3-propan-2-ylbenzamide
CID 59434803
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide
CID 102608462
4-[5-chloro-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide
CID 122422461
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
3-(3-bromophenoxy)oxetane
CID 83487082

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide?
The IUPAC name of N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide (CID 122422617) is N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide.
What is the SMILES notation for N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide?
The canonical SMILES for N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide is CS(=O)(=O)NC(=O)c1cccc(OC2COC2)c1.
What is the InChIKey of N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide?
The InChIKey is YBVWOKITEYAMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c1-18(14,15)12-11(13)8-3-2-4-9(5-8)17-10-6-16-7-10/h2-5,10H,6-7H2,1H3,(H,12,13).
What are the key properties of N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide?
N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide has a molecular weight of 271.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide is sourced from PubChem (CID 122422617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).