4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide

C16H8F6N2O3S — CID 22745431

IUPAC4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(-c2c(-c3ccc(F)c(F)c3)noc2C(F)F)cc1F
InChIInChI=1S/C16H8F6N2O3S/c17-8-2-1-6(3-9(8)18)13-12(14(16(21)22)27-24-13)7-4-10(19)15(11(20)5-7)28(23,25)26/h1-5,16H,(H2,23,25,26)
InChIKeyKYRGAVZQQXEFQP-UHFFFAOYSA-N
MW422.31 g/mol
LogP4.15
Rot. Bonds4

About 4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide

4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide (PubChem CID 22745431) has the molecular formula C16H8F6N2O3S and a molecular weight of 422.31 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
PubChem CID22745431
Molecular FormulaC16H8F6N2O3S
Molecular Weight422.31 g/mol
Exact Mass422.02
IUPAC Name4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(-c2c(-c3ccc(F)c(F)c3)noc2C(F)F)cc1F
InChIInChI=1S/C16H8F6N2O3S/c17-8-2-1-6(3-9(8)18)13-12(14(16(21)22)27-24-13)7-4-10(19)15(11(20)5-7)28(23,25)26/h1-5,16H,(H2,23,25,26)
InChIKeyKYRGAVZQQXEFQP-UHFFFAOYSA-N
XLogP4.15
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of 4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide (CID 22745431) is 4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for 4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide is NS(=O)(=O)c1c(F)cc(-c2c(-c3ccc(F)c(F)c3)noc2C(F)F)cc1F.
What is the InChIKey of 4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide?
The InChIKey is KYRGAVZQQXEFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F6N2O3S/c17-8-2-1-6(3-9(8)18)13-12(14(16(21)22)27-24-13)7-4-10(19)15(11(20)5-7)28(23,25)26/h1-5,16H,(H2,23,25,26).
What are the key properties of 4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide?
4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide has a molecular weight of 422.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 22745431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).