3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide

C8H15N3O3S — CID 116804346

IUPAC3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide
SMILESCCn1cc(OCCCS(N)(=O)=O)cn1
InChIInChI=1S/C8H15N3O3S/c1-2-11-7-8(6-10-11)14-4-3-5-15(9,12)13/h6-7H,2-5H2,1H3,(H2,9,12,13)
InChIKeyQWZLIFRKLAPDGZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.04
Rot. Bonds6

About 3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide

3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide (PubChem CID 116804346) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide
PubChem CID116804346
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide
SMILESCCn1cc(OCCCS(N)(=O)=O)cn1
InChIInChI=1S/C8H15N3O3S/c1-2-11-7-8(6-10-11)14-4-3-5-15(9,12)13/h6-7H,2-5H2,1H3,(H2,9,12,13)
InChIKeyQWZLIFRKLAPDGZ-UHFFFAOYSA-N
XLogP-0.04
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide (CID 116804346) is 3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide is CCn1cc(OCCCS(N)(=O)=O)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide?
The InChIKey is QWZLIFRKLAPDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-2-11-7-8(6-10-11)14-4-3-5-15(9,12)13/h6-7H,2-5H2,1H3,(H2,9,12,13).
What are the key properties of 3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide?
3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)oxypropane-1-sulfonamide is sourced from PubChem (CID 116804346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).