2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride

C9H9FN2O2S2 — CID 138056651

IUPAC2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCn1ccc(-c2cccs2)n1
InChIInChI=1S/C9H9FN2O2S2/c10-16(13,14)7-5-12-4-3-8(11-12)9-2-1-6-15-9/h1-4,6H,5,7H2
InChIKeyNAXYVFOFDLOERS-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.91
Rot. Bonds4

About 2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride

2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride (PubChem CID 138056651) has the molecular formula C9H9FN2O2S2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride
PubChem CID138056651
Molecular FormulaC9H9FN2O2S2
Molecular Weight260.31 g/mol
Exact Mass260.01
IUPAC Name2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCn1ccc(-c2cccs2)n1
InChIInChI=1S/C9H9FN2O2S2/c10-16(13,14)7-5-12-4-3-8(11-12)9-2-1-6-15-9/h1-4,6H,5,7H2
InChIKeyNAXYVFOFDLOERS-UHFFFAOYSA-N
XLogP1.91
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride?
The IUPAC name of 2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride (CID 138056651) is 2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride?
The canonical SMILES for 2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride is O=S(=O)(F)CCn1ccc(-c2cccs2)n1.
What is the InChIKey of 2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride?
The InChIKey is NAXYVFOFDLOERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2S2/c10-16(13,14)7-5-12-4-3-8(11-12)9-2-1-6-15-9/h1-4,6H,5,7H2.
What are the key properties of 2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride?
2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride has a molecular weight of 260.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 138056651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).