9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide

C14H27N3O3S — CID 105343946

IUPAC9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide
SMILESCCn1cc(OCCCCCCCCCS(N)(=O)=O)cn1
InChIInChI=1S/C14H27N3O3S/c1-2-17-13-14(12-16-17)20-10-8-6-4-3-5-7-9-11-21(15,18)19/h12-13H,2-11H2,1H3,(H2,15,18,19)
InChIKeySDYYSNZDEKZBCS-UHFFFAOYSA-N
MW317.45 g/mol
LogP2.30
Rot. Bonds12

About 9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide

9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide (PubChem CID 105343946) has the molecular formula C14H27N3O3S and a molecular weight of 317.45 g/mol. Its IUPAC name is 9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide.

Molecular Properties

Compound Name9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide
PubChem CID105343946
Molecular FormulaC14H27N3O3S
Molecular Weight317.45 g/mol
Exact Mass317.18
IUPAC Name9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide
SMILESCCn1cc(OCCCCCCCCCS(N)(=O)=O)cn1
InChIInChI=1S/C14H27N3O3S/c1-2-17-13-14(12-16-17)20-10-8-6-4-3-5-7-9-11-21(15,18)19/h12-13H,2-11H2,1H3,(H2,15,18,19)
InChIKeySDYYSNZDEKZBCS-UHFFFAOYSA-N
XLogP2.30
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 52.30
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 9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide?
The IUPAC name of 9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide (CID 105343946) is 9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide.
What is the SMILES notation for 9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide?
The canonical SMILES for 9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide is CCn1cc(OCCCCCCCCCS(N)(=O)=O)cn1.
What is the InChIKey of 9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide?
The InChIKey is SDYYSNZDEKZBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-2-17-13-14(12-16-17)20-10-8-6-4-3-5-7-9-11-21(15,18)19/h12-13H,2-11H2,1H3,(H2,15,18,19).
What are the key properties of 9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide?
9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide has a molecular weight of 317.45 g/mol, XLogP of 2.30, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-ethylpyrazol-4-yl)oxynonane-1-sulfonamide is sourced from PubChem (CID 105343946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).