3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride

C7H3ClF3IO3S — CID 170998343

IUPAC3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(I)c1OC(F)(F)F
InChIInChI=1S/C7H3ClF3IO3S/c8-16(13,14)5-3-1-2-4(12)6(5)15-7(9,10)11/h1-3H
InChIKeyQKHJHNROSZLXEV-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.12
Rot. Bonds2

About 3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride

3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 170998343) has the molecular formula C7H3ClF3IO3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID170998343
Molecular FormulaC7H3ClF3IO3S
Molecular Weight386.52 g/mol
Exact Mass385.85
IUPAC Name3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(I)c1OC(F)(F)F
InChIInChI=1S/C7H3ClF3IO3S/c8-16(13,14)5-3-1-2-4(12)6(5)15-7(9,10)11/h1-3H
InChIKeyQKHJHNROSZLXEV-UHFFFAOYSA-N
XLogP3.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodonaphthalene-1-sulfonyl chloride
CID 2759366
1,3-diiodo-2-(trifluoromethoxy)benzene
CID 151510849
2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 170998339
2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 122199046
2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 170997703
3-iodo-2-(trifluoromethoxy)benzenethiol
CID 170998267
3-iodo-2-methylbenzenesulfonyl chloride
CID 112694305
4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride
CID 131392639
[3-iodo-2-(trifluoromethoxy)phenyl]hydrazine
CID 118813241
4-cyano-3-fluoro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 118844619
4-chloro-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969613
6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131371074

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride (CID 170998343) is 3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(I)c1OC(F)(F)F.
What is the InChIKey of 3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is QKHJHNROSZLXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3IO3S/c8-16(13,14)5-3-1-2-4(12)6(5)15-7(9,10)11/h1-3H.
What are the key properties of 3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride?
3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 386.52 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 170998343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).