2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide

C15H11F2N3O4S — CID 22746754

IUPAC2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(-c2c(-c3cccnc3)noc2CO)cc1F
InChIInChI=1S/C15H11F2N3O4S/c16-10-5-13(25(18,22)23)11(17)4-9(10)14-12(7-21)24-20-15(14)8-2-1-3-19-6-8/h1-6,21H,7H2,(H2,18,22,23)
InChIKeyIIEXPFMDYHNXIS-UHFFFAOYSA-N
MW367.33 g/mol
LogP1.82
Rot. Bonds4

About 2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide

2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 22746754) has the molecular formula C15H11F2N3O4S and a molecular weight of 367.33 g/mol. Its IUPAC name is 2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID22746754
Molecular FormulaC15H11F2N3O4S
Molecular Weight367.33 g/mol
Exact Mass367.04
IUPAC Name2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(-c2c(-c3cccnc3)noc2CO)cc1F
InChIInChI=1S/C15H11F2N3O4S/c16-10-5-13(25(18,22)23)11(17)4-9(10)14-12(7-21)24-20-15(14)8-2-1-3-19-6-8/h1-6,21H,7H2,(H2,18,22,23)
InChIKeyIIEXPFMDYHNXIS-UHFFFAOYSA-N
XLogP1.82
TPSA119.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-cyano-4-methylphenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22745914
2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide
CID 22746963
4-[3-(3,5-dimethylphenyl)-5-(fluoromethyl)-1,2-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22747074
(4,5-difluoro-2-pyridin-3-ylphenyl)methanol
CID 141349558
4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(2-methyl-3-pyridinyl)-1,2-oxazole
CID 22746204
3-[4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-1,2-oxazol-3-yl]benzonitrile
CID 22745718
4-[3-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745636
2,5-difluoro-4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzenesulfonamide
CID 20692758
5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole
CID 22745688
3-(2,5-difluoro-4-methylphenyl)pyridine
CID 143759776
2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 67594995
[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol
CID 22747211

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide (CID 22746754) is 2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide is NS(=O)(=O)c1cc(F)c(-c2c(-c3cccnc3)noc2CO)cc1F.
What is the InChIKey of 2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is IIEXPFMDYHNXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O4S/c16-10-5-13(25(18,22)23)11(17)4-9(10)14-12(7-21)24-20-15(14)8-2-1-3-19-6-8/h1-6,21H,7H2,(H2,18,22,23).
What are the key properties of 2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide?
2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 367.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[5-(hydroxymethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 22746754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).