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

C6H10FN3O3S — CID 146570977

IUPAC4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide
SMILESCC(O)Cn1cc(F)c(S(N)(=O)=O)n1
InChIInChI=1S/C6H10FN3O3S/c1-4(11)2-10-3-5(7)6(9-10)14(8,12)13/h3-4,11H,2H2,1H3,(H2,8,12,13)
InChIKeyOUJBHXSYGZSBNC-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.95
Rot. Bonds3

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

4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide (PubChem CID 146570977) has the molecular formula C6H10FN3O3S and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide
PubChem CID146570977
Molecular FormulaC6H10FN3O3S
Molecular Weight223.23 g/mol
Exact Mass223.04
IUPAC Name4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide
SMILESCC(O)Cn1cc(F)c(S(N)(=O)=O)n1
InChIInChI=1S/C6H10FN3O3S/c1-4(11)2-10-3-5(7)6(9-10)14(8,12)13/h3-4,11H,2H2,1H3,(H2,8,12,13)
InChIKeyOUJBHXSYGZSBNC-UHFFFAOYSA-N
XLogP-0.95
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.95
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-hydroxypropyl)pyrazole-3-sulfonamide?
The IUPAC name of 4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide (CID 146570977) is 4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide?
The canonical SMILES for 4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide is CC(O)Cn1cc(F)c(S(N)(=O)=O)n1.
What is the InChIKey of 4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide?
The InChIKey is OUJBHXSYGZSBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O3S/c1-4(11)2-10-3-5(7)6(9-10)14(8,12)13/h3-4,11H,2H2,1H3,(H2,8,12,13).
What are the key properties of 4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide?
4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide has a molecular weight of 223.23 g/mol, XLogP of -0.95, 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-hydroxypropyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 146570977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).