2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide

C18H13F5N2O5S — CID 22746963

IUPAC2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCc1cc(-c2noc(CO)c2-c2cc(F)c(S(N)(=O)=O)cc2F)ccc1OC(F)(F)F
InChIInChI=1S/C18H13F5N2O5S/c1-8-4-9(2-3-13(8)29-18(21,22)23)17-16(14(7-26)30-25-17)10-5-12(20)15(6-11(10)19)31(24,27)28/h2-6,26H,7H2,1H3,(H2,24,27,28)
InChIKeyFOIZRFKMTHUHRS-UHFFFAOYSA-N
MW464.37 g/mol
LogP3.63
Rot. Bonds5

About 2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide

2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 22746963) has the molecular formula C18H13F5N2O5S and a molecular weight of 464.37 g/mol. Its IUPAC name is 2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID22746963
Molecular FormulaC18H13F5N2O5S
Molecular Weight464.37 g/mol
Exact Mass464.05
IUPAC Name2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCc1cc(-c2noc(CO)c2-c2cc(F)c(S(N)(=O)=O)cc2F)ccc1OC(F)(F)F
InChIInChI=1S/C18H13F5N2O5S/c1-8-4-9(2-3-13(8)29-18(21,22)23)17-16(14(7-26)30-25-17)10-5-12(20)15(6-11(10)19)31(24,27)28/h2-6,26H,7H2,1H3,(H2,24,27,28)
InChIKeyFOIZRFKMTHUHRS-UHFFFAOYSA-N
XLogP3.63
TPSA115.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-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 2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide (CID 22746963) is 2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide is Cc1cc(-c2noc(CO)c2-c2cc(F)c(S(N)(=O)=O)cc2F)ccc1OC(F)(F)F.
What is the InChIKey of 2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is FOIZRFKMTHUHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5N2O5S/c1-8-4-9(2-3-13(8)29-18(21,22)23)17-16(14(7-26)30-25-17)10-5-12(20)15(6-11(10)19)31(24,27)28/h2-6,26H,7H2,1H3,(H2,24,27,28).
What are the key properties of 2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide?
2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 464.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 22746963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).