5-iodothiophene-2-sulfonyl fluoride

C4H2FIO2S2 — CID 138040474

IUPAC5-iodothiophene-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(I)s1
InChIInChI=1S/C4H2FIO2S2/c5-10(7,8)4-2-1-3(6)9-4/h1-2H
InChIKeyGXUUFXWVOWYGEN-UHFFFAOYSA-N
MW292.09 g/mol
LogP2.01
Rot. Bonds1

About 5-iodothiophene-2-sulfonyl fluoride

5-iodothiophene-2-sulfonyl fluoride (PubChem CID 138040474) has the molecular formula C4H2FIO2S2 and a molecular weight of 292.09 g/mol. Its IUPAC name is 5-iodothiophene-2-sulfonyl fluoride.

Molecular Properties

Compound Name5-iodothiophene-2-sulfonyl fluoride
PubChem CID138040474
Molecular FormulaC4H2FIO2S2
Molecular Weight292.09 g/mol
Exact Mass291.85
IUPAC Name5-iodothiophene-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(I)s1
InChIInChI=1S/C4H2FIO2S2/c5-10(7,8)4-2-1-3(6)9-4/h1-2H
InChIKeyGXUUFXWVOWYGEN-UHFFFAOYSA-N
XLogP2.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.09
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-iodothiophene-2-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Thiophenesulfonyl chloride
CID 85518
5-Iodothiophene-2-sulfonyl chloride
CID 13425715
Thiophene-2-sulfonyl fluoride
CID 19098976
3-Fluorothiophene-2-sulfonyl chloride
CID 15158653
5-Fluorothiophene-2-sulfonyl chloride
CID 45602174
2-(Ethylsulfonyl)-5-iodothiophene
CID 786878
3-Iodothiophene-2-sulfonyl chloride
CID 21551506
3-Iodothiophene-2-sulfonyl fluoride
CID 145874622
Thiophene-2,4-disulfonyl fluoride
CID 18930945
Thiophen-2-yl(trifluoromethylsulfonyloxy)iodanium
CID 87513824
5-Fluorothiophene-2-sulfonic acid
CID 126750007
4,5-Difluorothiophene-2-sulfonyl chloride
CID 156499840

Frequently Asked Questions

What is the IUPAC name of 5-iodothiophene-2-sulfonyl fluoride?
The IUPAC name of 5-iodothiophene-2-sulfonyl fluoride (CID 138040474) is 5-iodothiophene-2-sulfonyl fluoride.
What is the SMILES notation for 5-iodothiophene-2-sulfonyl fluoride?
The canonical SMILES for 5-iodothiophene-2-sulfonyl fluoride is O=S(=O)(F)c1ccc(I)s1.
What is the InChIKey of 5-iodothiophene-2-sulfonyl fluoride?
The InChIKey is GXUUFXWVOWYGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2FIO2S2/c5-10(7,8)4-2-1-3(6)9-4/h1-2H.
What are the key properties of 5-iodothiophene-2-sulfonyl fluoride?
5-iodothiophene-2-sulfonyl fluoride has a molecular weight of 292.09 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodothiophene-2-sulfonyl fluoride is sourced from PubChem (CID 138040474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).