5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide

C16H9F5N2O3S — CID 67723240

IUPAC5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2ccc(F)c(F)c2)c(-c2ncco2)cc1C(F)(F)F
InChIInChI=1S/C16H9F5N2O3S/c17-12-2-1-8(5-13(12)18)9-7-14(27(22,24)25)11(16(19,20)21)6-10(9)15-23-3-4-26-15/h1-7H,(H2,22,24,25)
InChIKeyDKSVMFBQDFSSMF-UHFFFAOYSA-N
MW404.32 g/mol
LogP3.95
Rot. Bonds3

About 5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide

5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 67723240) has the molecular formula C16H9F5N2O3S and a molecular weight of 404.32 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID67723240
Molecular FormulaC16H9F5N2O3S
Molecular Weight404.32 g/mol
Exact Mass404.03
IUPAC Name5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2ccc(F)c(F)c2)c(-c2ncco2)cc1C(F)(F)F
InChIInChI=1S/C16H9F5N2O3S/c17-12-2-1-8(5-13(12)18)9-7-14(27(22,24)25)11(16(19,20)21)6-10(9)15-23-3-4-26-15/h1-7H,(H2,22,24,25)
InChIKeyDKSVMFBQDFSSMF-UHFFFAOYSA-N
XLogP3.95
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 67723240) is 5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1cc(-c2ccc(F)c(F)c2)c(-c2ncco2)cc1C(F)(F)F.
What is the InChIKey of 5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DKSVMFBQDFSSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F5N2O3S/c17-12-2-1-8(5-13(12)18)9-7-14(27(22,24)25)11(16(19,20)21)6-10(9)15-23-3-4-26-15/h1-7H,(H2,22,24,25).
What are the key properties of 5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 404.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-4-(1,3-oxazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67723240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).