4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide

C15H16F2N2O4S — CID 22746722

IUPAC4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(-c2coc(=O)n2C2CCCCC2)cc1F
InChIInChI=1S/C15H16F2N2O4S/c16-11-7-14(24(18,21)22)12(17)6-10(11)13-8-23-15(20)19(13)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,18,21,22)
InChIKeyZXALXMFBFYROAI-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.54
Rot. Bonds3

About 4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide

4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide (PubChem CID 22746722) has the molecular formula C15H16F2N2O4S and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide
PubChem CID22746722
Molecular FormulaC15H16F2N2O4S
Molecular Weight358.37 g/mol
Exact Mass358.08
IUPAC Name4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(-c2coc(=O)n2C2CCCCC2)cc1F
InChIInChI=1S/C15H16F2N2O4S/c16-11-7-14(24(18,21)22)12(17)6-10(11)13-8-23-15(20)19(13)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,18,21,22)
InChIKeyZXALXMFBFYROAI-UHFFFAOYSA-N
XLogP2.54
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3,5-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22747134
4-[3-(4-bromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22745615
4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22746284
2,5-difluoro-4-[3-(3-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 22745756
4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22746727
2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide
CID 22746702
1-cyclopentyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole
CID 10292908
2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22746497
4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22745672
4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22746089
2,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22747368
4-[1-(3,5-dibromophenyl)-3-(difluoromethyl)pyrazol-5-yl]-2,5-difluorobenzenesulfonamide
CID 10230705

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of 4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide (CID 22746722) is 4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)c(-c2coc(=O)n2C2CCCCC2)cc1F.
What is the InChIKey of 4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide?
The InChIKey is ZXALXMFBFYROAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O4S/c16-11-7-14(24(18,21)22)12(17)6-10(11)13-8-23-15(20)19(13)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,18,21,22).
What are the key properties of 4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide?
4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide has a molecular weight of 358.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 22746722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).