1-ethyl-4-fluoropyrazole-3-sulfonamide

C5H8FN3O2S — CID 146570546

IUPAC1-ethyl-4-fluoropyrazole-3-sulfonamide
SMILESCCn1cc(F)c(S(N)(=O)=O)n1
InChIInChI=1S/C5H8FN3O2S/c1-2-9-3-4(6)5(8-9)12(7,10)11/h3H,2H2,1H3,(H2,7,10,11)
InChIKeyQWZSMJDLKGSDHX-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.31
Rot. Bonds2

About 1-ethyl-4-fluoropyrazole-3-sulfonamide

1-ethyl-4-fluoropyrazole-3-sulfonamide (PubChem CID 146570546) has the molecular formula C5H8FN3O2S and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-ethyl-4-fluoropyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-4-fluoropyrazole-3-sulfonamide
PubChem CID146570546
Molecular FormulaC5H8FN3O2S
Molecular Weight193.20 g/mol
Exact Mass193.03
IUPAC Name1-ethyl-4-fluoropyrazole-3-sulfonamide
SMILESCCn1cc(F)c(S(N)(=O)=O)n1
InChIInChI=1S/C5H8FN3O2S/c1-2-9-3-4(6)5(8-9)12(7,10)11/h3H,2H2,1H3,(H2,7,10,11)
InChIKeyQWZSMJDLKGSDHX-UHFFFAOYSA-N
XLogP-0.31
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoropyrazole-3-sulfonamide?
The IUPAC name of 1-ethyl-4-fluoropyrazole-3-sulfonamide (CID 146570546) is 1-ethyl-4-fluoropyrazole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-4-fluoropyrazole-3-sulfonamide?
The canonical SMILES for 1-ethyl-4-fluoropyrazole-3-sulfonamide is CCn1cc(F)c(S(N)(=O)=O)n1.
What is the InChIKey of 1-ethyl-4-fluoropyrazole-3-sulfonamide?
The InChIKey is QWZSMJDLKGSDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O2S/c1-2-9-3-4(6)5(8-9)12(7,10)11/h3H,2H2,1H3,(H2,7,10,11).
What are the key properties of 1-ethyl-4-fluoropyrazole-3-sulfonamide?
1-ethyl-4-fluoropyrazole-3-sulfonamide has a molecular weight of 193.20 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoropyrazole-3-sulfonamide is sourced from PubChem (CID 146570546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).