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

C6H2Cl2F2INO2S — CID 118816647

IUPAC4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncc(C(F)F)c(Cl)c1I
InChIInChI=1S/C6H2Cl2F2INO2S/c7-3-2(5(9)10)1-12-6(4(3)11)15(8,13)14/h1,5H
InChIKeyZOQMMQUEAMONIG-UHFFFAOYSA-N
MW387.96 g/mol
LogP3.20
Rot. Bonds2

About 4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride

4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride (PubChem CID 118816647) has the molecular formula C6H2Cl2F2INO2S and a molecular weight of 387.96 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
PubChem CID118816647
Molecular FormulaC6H2Cl2F2INO2S
Molecular Weight387.96 g/mol
Exact Mass386.82
IUPAC Name4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncc(C(F)F)c(Cl)c1I
InChIInChI=1S/C6H2Cl2F2INO2S/c7-3-2(5(9)10)1-12-6(4(3)11)15(8,13)14/h1,5H
InChIKeyZOQMMQUEAMONIG-UHFFFAOYSA-N
XLogP3.20
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.96
LogP ≤ 53.20
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

3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130072163
5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131451795
3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 130096937
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 130074018
3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130095750
4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 118822917
4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride
CID 118852049
4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride
CID 118829623
5-amino-4-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103084
4-chloro-5-(difluoromethyl)-3-methylpyridine-2-sulfonamide
CID 118822440
5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
CID 130072158
2-amino-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
CID 118993955

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride?
The IUPAC name of 4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride (CID 118816647) is 4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1ncc(C(F)F)c(Cl)c1I.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride?
The InChIKey is ZOQMMQUEAMONIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2INO2S/c7-3-2(5(9)10)1-12-6(4(3)11)15(8,13)14/h1,5H.
What are the key properties of 4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride?
4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride has a molecular weight of 387.96 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride is sourced from PubChem (CID 118816647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).