4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide

C13H13FN2O5S — CID 91643837

IUPAC4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide
SMILESCOCc1cc(C(=O)NS(=O)(=O)Cc2ccon2)ccc1F
InChIInChI=1S/C13H13FN2O5S/c1-20-7-10-6-9(2-3-12(10)14)13(17)16-22(18,19)8-11-4-5-21-15-11/h2-6H,7-8H2,1H3,(H,16,17)
InChIKeyWUNWWBYUSRQSFK-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.22
Rot. Bonds6

About 4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide

4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide (PubChem CID 91643837) has the molecular formula C13H13FN2O5S and a molecular weight of 328.32 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide
PubChem CID91643837
Molecular FormulaC13H13FN2O5S
Molecular Weight328.32 g/mol
Exact Mass328.05
IUPAC Name4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide
SMILESCOCc1cc(C(=O)NS(=O)(=O)Cc2ccon2)ccc1F
InChIInChI=1S/C13H13FN2O5S/c1-20-7-10-6-9(2-3-12(10)14)13(17)16-22(18,19)8-11-4-5-21-15-11/h2-6H,7-8H2,1H3,(H,16,17)
InChIKeyWUNWWBYUSRQSFK-UHFFFAOYSA-N
XLogP1.22
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide (CID 91643837) is 4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide is COCc1cc(C(=O)NS(=O)(=O)Cc2ccon2)ccc1F.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide?
The InChIKey is WUNWWBYUSRQSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O5S/c1-20-7-10-6-9(2-3-12(10)14)13(17)16-22(18,19)8-11-4-5-21-15-11/h2-6H,7-8H2,1H3,(H,16,17).
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide?
4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide has a molecular weight of 328.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)benzamide is sourced from PubChem (CID 91643837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).