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

C17H15FN2O3S — CID 67621648

IUPAC4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCCc1nc(-c2cccc(F)c2)c(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C17H15FN2O3S/c1-2-15-20-16(12-4-3-5-13(18)10-12)17(23-15)11-6-8-14(9-7-11)24(19,21)22/h3-10H,2H2,1H3,(H2,19,21,22)
InChIKeyZAJHKQHVGXHRNC-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.36
Rot. Bonds4

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

4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 67621648) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID67621648
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCCc1nc(-c2cccc(F)c2)c(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C17H15FN2O3S/c1-2-15-20-16(12-4-3-5-13(18)10-12)17(23-15)11-6-8-14(9-7-11)24(19,21)22/h3-10H,2H2,1H3,(H2,19,21,22)
InChIKeyZAJHKQHVGXHRNC-UHFFFAOYSA-N
XLogP3.36
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 67621648) is 4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide is CCc1nc(-c2cccc(F)c2)c(-c2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of 4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is ZAJHKQHVGXHRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-2-15-20-16(12-4-3-5-13(18)10-12)17(23-15)11-6-8-14(9-7-11)24(19,21)22/h3-10H,2H2,1H3,(H2,19,21,22).
What are the key properties of 4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 346.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67621648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).