1-ethyl-4-fluoropyrazole-5-sulfonamide

C5H8FN3O2S — CID 146570516

IUPAC1-ethyl-4-fluoropyrazole-5-sulfonamide
SMILESCCn1ncc(F)c1S(N)(=O)=O
InChIInChI=1S/C5H8FN3O2S/c1-2-9-5(12(7,10)11)4(6)3-8-9/h3H,2H2,1H3,(H2,7,10,11)
InChIKeyHAXRLBHCWASIOY-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.31
Rot. Bonds2

About 1-ethyl-4-fluoropyrazole-5-sulfonamide

1-ethyl-4-fluoropyrazole-5-sulfonamide (PubChem CID 146570516) has the molecular formula C5H8FN3O2S and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-ethyl-4-fluoropyrazole-5-sulfonamide.

Molecular Properties

Compound Name1-ethyl-4-fluoropyrazole-5-sulfonamide
PubChem CID146570516
Molecular FormulaC5H8FN3O2S
Molecular Weight193.20 g/mol
Exact Mass193.03
IUPAC Name1-ethyl-4-fluoropyrazole-5-sulfonamide
SMILESCCn1ncc(F)c1S(N)(=O)=O
InChIInChI=1S/C5H8FN3O2S/c1-2-9-5(12(7,10)11)4(6)3-8-9/h3H,2H2,1H3,(H2,7,10,11)
InChIKeyHAXRLBHCWASIOY-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-5-sulfonamide?
The IUPAC name of 1-ethyl-4-fluoropyrazole-5-sulfonamide (CID 146570516) is 1-ethyl-4-fluoropyrazole-5-sulfonamide.
What is the SMILES notation for 1-ethyl-4-fluoropyrazole-5-sulfonamide?
The canonical SMILES for 1-ethyl-4-fluoropyrazole-5-sulfonamide is CCn1ncc(F)c1S(N)(=O)=O.
What is the InChIKey of 1-ethyl-4-fluoropyrazole-5-sulfonamide?
The InChIKey is HAXRLBHCWASIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O2S/c1-2-9-5(12(7,10)11)4(6)3-8-9/h3H,2H2,1H3,(H2,7,10,11).
What are the key properties of 1-ethyl-4-fluoropyrazole-5-sulfonamide?
1-ethyl-4-fluoropyrazole-5-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-5-sulfonamide is sourced from PubChem (CID 146570516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).