4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide

C17H13F3N2O4S — CID 18701640

IUPAC4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc(OCC(F)(F)F)nc2-c2ccccc2)cc1
InChIInChI=1S/C17H13F3N2O4S/c18-17(19,20)10-25-16-22-14(11-4-2-1-3-5-11)15(26-16)12-6-8-13(9-7-12)27(21,23)24/h1-9H,10H2,(H2,21,23,24)
InChIKeyDONLVKVQRAVZDT-UHFFFAOYSA-N
MW398.36 g/mol
LogP3.60
Rot. Bonds5

About 4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide

4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 18701640) has the molecular formula C17H13F3N2O4S and a molecular weight of 398.36 g/mol. Its IUPAC name is 4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID18701640
Molecular FormulaC17H13F3N2O4S
Molecular Weight398.36 g/mol
Exact Mass398.05
IUPAC Name4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc(OCC(F)(F)F)nc2-c2ccccc2)cc1
InChIInChI=1S/C17H13F3N2O4S/c18-17(19,20)10-25-16-22-14(11-4-2-1-3-5-11)15(26-16)12-6-8-13(9-7-12)27(21,23)24/h1-9H,10H2,(H2,21,23,24)
InChIKeyDONLVKVQRAVZDT-UHFFFAOYSA-N
XLogP3.60
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide (CID 18701640) is 4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2oc(OCC(F)(F)F)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is DONLVKVQRAVZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O4S/c18-17(19,20)10-25-16-22-14(11-4-2-1-3-5-11)15(26-16)12-6-8-13(9-7-12)27(21,23)24/h1-9H,10H2,(H2,21,23,24).
What are the key properties of 4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide?
4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 398.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-2-(2,2,2-trifluoroethoxy)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 18701640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).