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

C16H11F4N3O3S — CID 22745916

IUPAC4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
SMILESCc1cccc(-c2noc(C(F)F)c2-c2cc(F)c(S(N)(=O)=O)c(F)c2)n1
InChIInChI=1S/C16H11F4N3O3S/c1-7-3-2-4-11(22-7)13-12(14(16(19)20)26-23-13)8-5-9(17)15(10(18)6-8)27(21,24)25/h2-6,16H,1H3,(H2,21,24,25)
InChIKeyGLDMEHONIIMXJP-UHFFFAOYSA-N
MW401.34 g/mol
LogP3.58
Rot. Bonds4

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

4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide (PubChem CID 22745916) has the molecular formula C16H11F4N3O3S and a molecular weight of 401.34 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
PubChem CID22745916
Molecular FormulaC16H11F4N3O3S
Molecular Weight401.34 g/mol
Exact Mass401.05
IUPAC Name4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
SMILESCc1cccc(-c2noc(C(F)F)c2-c2cc(F)c(S(N)(=O)=O)c(F)c2)n1
InChIInChI=1S/C16H11F4N3O3S/c1-7-3-2-4-11(22-7)13-12(14(16(19)20)26-23-13)8-5-9(17)15(10(18)6-8)27(21,24)25/h2-6,16H,1H3,(H2,21,24,25)
InChIKeyGLDMEHONIIMXJP-UHFFFAOYSA-N
XLogP3.58
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-Fluoro-4-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole
CID 16743532
5-[6-Fluoro-2-(4-methylphenyl)-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole
CID 16743533
5-[6-Fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-3-methyl-1,2-oxazole
CID 16743535
2,6-Difluoro-4-(5-methyl-3-phenyl-isoxazol-4-yl)benzenesulfonamide
CID 9968255
5-[4-Fluoro-6-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole
CID 14663830
5-[3-Trifluoromethanesulfonylphenyl]-3-[pyridin-2-yl]-1,2-oxazole
CID 21942418
[4-(3,5-Difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol
CID 22745420
4-[5-(Difluoromethyl)-3-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745431
4-(3,5-Difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole
CID 22745441
4-(2,5-Difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole
CID 22745537
4-[5-(Difluoromethyl)-3-(3-fluorophenyl)-1,2-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22745539
4-[5-(Difluoromethyl)-3-(3-fluorophenyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745577

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of 4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide (CID 22745916) is 4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for 4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide is Cc1cccc(-c2noc(C(F)F)c2-c2cc(F)c(S(N)(=O)=O)c(F)c2)n1.
What is the InChIKey of 4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide?
The InChIKey is GLDMEHONIIMXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O3S/c1-7-3-2-4-11(22-7)13-12(14(16(19)20)26-23-13)8-5-9(17)15(10(18)6-8)27(21,24)25/h2-6,16H,1H3,(H2,21,24,25).
What are the key properties of 4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide?
4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide has a molecular weight of 401.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 22745916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).