2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride

C7H3ClF3IO3S — CID 170998339

IUPAC2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(OC(F)(F)F)c1I
InChIInChI=1S/C7H3ClF3IO3S/c8-16(13,14)5-3-1-2-4(6(5)12)15-7(9,10)11/h1-3H
InChIKeyWONIKMKUPQDAEG-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.12
Rot. Bonds2

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

2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 170998339) has the molecular formula C7H3ClF3IO3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID170998339
Molecular FormulaC7H3ClF3IO3S
Molecular Weight386.52 g/mol
Exact Mass385.85
IUPAC Name2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(OC(F)(F)F)c1I
InChIInChI=1S/C7H3ClF3IO3S/c8-16(13,14)5-3-1-2-4(6(5)12)15-7(9,10)11/h1-3H
InChIKeyWONIKMKUPQDAEG-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

2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 122199046
2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 170997703
3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 170998343
sodium 2-(trifluoromethoxy)benzenesulfonate
CID 112705039
3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 130088894
3-[2-iodo-3-(trifluoromethoxy)phenyl]propanal
CID 134638221
2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid
CID 170998296
2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 170998891
2-iodosyl-3-(trifluoromethoxy)benzenesulfonic acid
CID 23357228
3-sulfanyl-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 170999358
6-iodo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131333881
4-cyano-5-methoxy-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 118839290

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride (CID 170998339) is 2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(OC(F)(F)F)c1I.
What is the InChIKey of 2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is WONIKMKUPQDAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3IO3S/c8-16(13,14)5-3-1-2-4(6(5)12)15-7(9,10)11/h1-3H.
What are the key properties of 2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride?
2-iodo-3-(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 2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 170998339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).