2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide

C15H10F2N2O3S — CID 153380996

IUPAC2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)on1)c1c(F)cccc1F
InChIInChI=1S/C15H10F2N2O3S/c16-11-7-4-8-12(17)15(11)23(20,21)19-14-9-13(22-18-14)10-5-2-1-3-6-10/h1-9H,(H,18,19)
InChIKeyZHBXMQNCDBYDRR-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.42
Rot. Bonds4

About 2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide

2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 153380996) has the molecular formula C15H10F2N2O3S and a molecular weight of 336.32 g/mol. Its IUPAC name is 2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID153380996
Molecular FormulaC15H10F2N2O3S
Molecular Weight336.32 g/mol
Exact Mass336.04
IUPAC Name2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)on1)c1c(F)cccc1F
InChIInChI=1S/C15H10F2N2O3S/c16-11-7-4-8-12(17)15(11)23(20,21)19-14-9-13(22-18-14)10-5-2-1-3-6-10/h1-9H,(H,18,19)
InChIKeyZHBXMQNCDBYDRR-UHFFFAOYSA-N
XLogP3.42
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenyl-1,2-oxazol-3-amine
CID 3620792
N-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20917432
N-(1,2-benzoxazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 8085718
5-(4-Fluorophenyl)-1,2-oxazol-3-amine
CID 13200424
N-(4-ethylphenyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 16022356
4-(3-Methyl-5-isoxazolyl)-N~1~-(2-methylphenyl)-1-benzenesulfonamide
CID 16022358
US11911372, Example 63
CID 152204261
N-(1,2-benzoxazol-3-yl)benzenesulfonamide
CID 175223213
4-fluoro-2-methyl-N-(5-phenyl-1,2-oxazol-3-yl)benzene-1-sulfonamide
CID 72106736
3-((5-Methyl-1,2-oxazol-3-yl)sulfamoyl)benzoic acid
CID 4962386
4-Amino-N-(5-phenyl-isoxazol-3-yl)-benzenesulfonamide
CID 10335844
4-[3-(4-Fluorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 145982402

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 153380996) is 2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)on1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is ZHBXMQNCDBYDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O3S/c16-11-7-4-8-12(17)15(11)23(20,21)19-14-9-13(22-18-14)10-5-2-1-3-6-10/h1-9H,(H,18,19).
What are the key properties of 2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide?
2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 336.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 153380996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).