2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide

C18H15F3N2O6S — CID 153381014

IUPAC2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide
SMILESCOc1cccc(OC)c1S(=O)(=O)Nc1cc(-c2ccccc2OC(F)(F)F)on1
InChIInChI=1S/C18H15F3N2O6S/c1-26-13-8-5-9-14(27-2)17(13)30(24,25)23-16-10-15(29-22-16)11-6-3-4-7-12(11)28-18(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyPMOUJRSPHQAOFP-UHFFFAOYSA-N
MW444.39 g/mol
LogP4.06
Rot. Bonds7

About 2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide

2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide (PubChem CID 153381014) has the molecular formula C18H15F3N2O6S and a molecular weight of 444.39 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide
PubChem CID153381014
Molecular FormulaC18H15F3N2O6S
Molecular Weight444.39 g/mol
Exact Mass444.06
IUPAC Name2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide
SMILESCOc1cccc(OC)c1S(=O)(=O)Nc1cc(-c2ccccc2OC(F)(F)F)on1
InChIInChI=1S/C18H15F3N2O6S/c1-26-13-8-5-9-14(27-2)17(13)30(24,25)23-16-10-15(29-22-16)11-6-3-4-7-12(11)28-18(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyPMOUJRSPHQAOFP-UHFFFAOYSA-N
XLogP4.06
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide?
The IUPAC name of 2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide (CID 153381014) is 2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide is COc1cccc(OC)c1S(=O)(=O)Nc1cc(-c2ccccc2OC(F)(F)F)on1.
What is the InChIKey of 2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide?
The InChIKey is PMOUJRSPHQAOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O6S/c1-26-13-8-5-9-14(27-2)17(13)30(24,25)23-16-10-15(29-22-16)11-6-3-4-7-12(11)28-18(19,20)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of 2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide?
2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide has a molecular weight of 444.39 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[5-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 153381014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).