2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide

C18H17FN2O4S — CID 67594963

IUPAC2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCCc1noc(-c2ccc(OC)c(F)c2)c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C18H17FN2O4S/c1-3-14-17(12-6-4-5-7-16(12)26(20,22)23)18(25-21-14)11-8-9-15(24-2)13(19)10-11/h4-10H,3H2,1-2H3,(H2,20,22,23)
InChIKeyFEEOXEHEYANPJW-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.37
Rot. Bonds5

About 2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide

2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 67594963) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID67594963
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCCc1noc(-c2ccc(OC)c(F)c2)c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C18H17FN2O4S/c1-3-14-17(12-6-4-5-7-16(12)26(20,22)23)18(25-21-14)11-8-9-15(24-2)13(19)10-11/h4-10H,3H2,1-2H3,(H2,20,22,23)
InChIKeyFEEOXEHEYANPJW-UHFFFAOYSA-N
XLogP3.37
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide (CID 67594963) is 2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide is CCc1noc(-c2ccc(OC)c(F)c2)c1-c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is FEEOXEHEYANPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-3-14-17(12-6-4-5-7-16(12)26(20,22)23)18(25-21-14)11-8-9-15(24-2)13(19)10-11/h4-10H,3H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide?
2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 67594963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).