1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide

C13H12FN5O4S — CID 167978297

IUPAC1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESO=c1[nH]c(CCNS(=O)(=O)c2cnn(-c3ccccc3F)c2)no1
InChIInChI=1S/C13H12FN5O4S/c14-10-3-1-2-4-11(10)19-8-9(7-15-19)24(21,22)16-6-5-12-17-13(20)23-18-12/h1-4,7-8,16H,5-6H2,(H,17,18,20)
InChIKeyKNAWRHAZCPVAIS-UHFFFAOYSA-N
MW353.34 g/mol
LogP0.21
Rot. Bonds6

About 1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide

1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 167978297) has the molecular formula C13H12FN5O4S and a molecular weight of 353.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID167978297
Molecular FormulaC13H12FN5O4S
Molecular Weight353.34 g/mol
Exact Mass353.06
IUPAC Name1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESO=c1[nH]c(CCNS(=O)(=O)c2cnn(-c3ccccc3F)c2)no1
InChIInChI=1S/C13H12FN5O4S/c14-10-3-1-2-4-11(10)19-8-9(7-15-19)24(21,22)16-6-5-12-17-13(20)23-18-12/h1-4,7-8,16H,5-6H2,(H,17,18,20)
InChIKeyKNAWRHAZCPVAIS-UHFFFAOYSA-N
XLogP0.21
TPSA122.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide (CID 167978297) is 1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide is O=c1[nH]c(CCNS(=O)(=O)c2cnn(-c3ccccc3F)c2)no1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is KNAWRHAZCPVAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O4S/c14-10-3-1-2-4-11(10)19-8-9(7-15-19)24(21,22)16-6-5-12-17-13(20)23-18-12/h1-4,7-8,16H,5-6H2,(H,17,18,20).
What are the key properties of 1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide?
1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 353.34 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 167978297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).