4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

C16H13FN2O5S — CID 10498979

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1F
InChIInChI=1S/C16H13FN2O5S/c1-23-15-7-4-11(8-13(15)17)19-14(9-24-16(19)20)10-2-5-12(6-3-10)25(18,21)22/h2-9H,1H3,(H2,18,21,22)
InChIKeySOCFAPJBKSNKPG-UHFFFAOYSA-N
MW364.35 g/mol
LogP1.89
Rot. Bonds4

About 4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 10498979) has the molecular formula C16H13FN2O5S and a molecular weight of 364.35 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID10498979
Molecular FormulaC16H13FN2O5S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1F
InChIInChI=1S/C16H13FN2O5S/c1-23-15-7-4-11(8-13(15)17)19-14(9-24-16(19)20)10-2-5-12(6-3-10)25(18,21)22/h2-9H,1H3,(H2,18,21,22)
InChIKeySOCFAPJBKSNKPG-UHFFFAOYSA-N
XLogP1.89
TPSA104.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (CID 10498979) is 4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is COc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is SOCFAPJBKSNKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O5S/c1-23-15-7-4-11(8-13(15)17)19-14(9-24-16(19)20)10-2-5-12(6-3-10)25(18,21)22/h2-9H,1H3,(H2,18,21,22).
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 364.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10498979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).