4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide

C5H8FN3O3S — CID 146570537

IUPAC4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide
SMILESNS(=O)(=O)c1nn(CCO)cc1F
InChIInChI=1S/C5H8FN3O3S/c6-4-3-9(1-2-10)8-5(4)13(7,11)12/h3,10H,1-2H2,(H2,7,11,12)
InChIKeySYUXBTCCJZAOFS-UHFFFAOYSA-N
MW209.20 g/mol
LogP-1.34
Rot. Bonds3

About 4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide

4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide (PubChem CID 146570537) has the molecular formula C5H8FN3O3S and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide
PubChem CID146570537
Molecular FormulaC5H8FN3O3S
Molecular Weight209.20 g/mol
Exact Mass209.03
IUPAC Name4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide
SMILESNS(=O)(=O)c1nn(CCO)cc1F
InChIInChI=1S/C5H8FN3O3S/c6-4-3-9(1-2-10)8-5(4)13(7,11)12/h3,10H,1-2H2,(H2,7,11,12)
InChIKeySYUXBTCCJZAOFS-UHFFFAOYSA-N
XLogP-1.34
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide?
The IUPAC name of 4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide (CID 146570537) is 4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide?
The canonical SMILES for 4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide is NS(=O)(=O)c1nn(CCO)cc1F.
What is the InChIKey of 4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide?
The InChIKey is SYUXBTCCJZAOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O3S/c6-4-3-9(1-2-10)8-5(4)13(7,11)12/h3,10H,1-2H2,(H2,7,11,12).
What are the key properties of 4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide?
4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide has a molecular weight of 209.20 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 146570537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).