3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride

C6H3ClF2INO2S — CID 130096937

IUPAC3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncc(I)cc1C(F)F
InChIInChI=1S/C6H3ClF2INO2S/c7-14(12,13)6-4(5(8)9)1-3(10)2-11-6/h1-2,5H
InChIKeyCNNCEYZVDZIMRB-UHFFFAOYSA-N
MW353.52 g/mol
LogP2.55
Rot. Bonds2

About 3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride

3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride (PubChem CID 130096937) has the molecular formula C6H3ClF2INO2S and a molecular weight of 353.52 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
PubChem CID130096937
Molecular FormulaC6H3ClF2INO2S
Molecular Weight353.52 g/mol
Exact Mass352.86
IUPAC Name3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncc(I)cc1C(F)F
InChIInChI=1S/C6H3ClF2INO2S/c7-14(12,13)6-4(5(8)9)1-3(10)2-11-6/h1-2,5H
InChIKeyCNNCEYZVDZIMRB-UHFFFAOYSA-N
XLogP2.55
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.52
LogP ≤ 52.55
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

4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 118816647
3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130072163
5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131451795
4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride
CID 118829623
4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride
CID 118852049
4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 118822917
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 130074018
4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride
CID 118838566
6-amino-5-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103054
5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride
CID 130096580
6-cyano-4-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 130077741
3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130095750

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride?
The IUPAC name of 3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride (CID 130096937) is 3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1ncc(I)cc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride?
The InChIKey is CNNCEYZVDZIMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2INO2S/c7-14(12,13)6-4(5(8)9)1-3(10)2-11-6/h1-2,5H.
What are the key properties of 3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride?
3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride has a molecular weight of 353.52 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride is sourced from PubChem (CID 130096937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).