1-ethylpyrazole-4-sulfonamide

C5H9N3O2S — CID 17262698

IUPAC1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(N)(=O)=O)cn1
InChIInChI=1S/C5H9N3O2S/c1-2-8-4-5(3-7-8)11(6,9)10/h3-4H,2H2,1H3,(H2,6,9,10)
InChIKeyLYLRCLRAOORSIQ-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.45
Rot. Bonds2

About 1-ethylpyrazole-4-sulfonamide

1-ethylpyrazole-4-sulfonamide (PubChem CID 17262698) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is 1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethylpyrazole-4-sulfonamide
PubChem CID17262698
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC Name1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(N)(=O)=O)cn1
InChIInChI=1S/C5H9N3O2S/c1-2-8-4-5(3-7-8)11(6,9)10/h3-4H,2H2,1H3,(H2,6,9,10)
InChIKeyLYLRCLRAOORSIQ-UHFFFAOYSA-N
XLogP-0.45
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethylpyrazole-4-sulfonamide (CID 17262698) is 1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethylpyrazole-4-sulfonamide is CCn1cc(S(N)(=O)=O)cn1.
What is the InChIKey of 1-ethylpyrazole-4-sulfonamide?
The InChIKey is LYLRCLRAOORSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-2-8-4-5(3-7-8)11(6,9)10/h3-4H,2H2,1H3,(H2,6,9,10).
What are the key properties of 1-ethylpyrazole-4-sulfonamide?
1-ethylpyrazole-4-sulfonamide has a molecular weight of 175.21 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 17262698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).