2-(difluoromethoxy)pyridine-3-sulfonyl chloride

C6H4ClF2NO3S — CID 139300692

IUPAC2-(difluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccnc1OC(F)F
InChIInChI=1S/C6H4ClF2NO3S/c7-14(11,12)4-2-1-3-10-5(4)13-6(8)9/h1-3,6H
InChIKeySWDUDWDFEAITLE-UHFFFAOYSA-N
MW243.62 g/mol
LogP1.61
Rot. Bonds3

About 2-(difluoromethoxy)pyridine-3-sulfonyl chloride

2-(difluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 139300692) has the molecular formula C6H4ClF2NO3S and a molecular weight of 243.62 g/mol. Its IUPAC name is 2-(difluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(difluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID139300692
Molecular FormulaC6H4ClF2NO3S
Molecular Weight243.62 g/mol
Exact Mass242.96
IUPAC Name2-(difluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccnc1OC(F)F
InChIInChI=1S/C6H4ClF2NO3S/c7-14(11,12)4-2-1-3-10-5(4)13-6(8)9/h1-3,6H
InChIKeySWDUDWDFEAITLE-UHFFFAOYSA-N
XLogP1.61
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 2-(difluoromethoxy)pyridine-3-sulfonyl chloride (CID 139300692) is 2-(difluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-(difluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-(difluoromethoxy)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cccnc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is SWDUDWDFEAITLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2NO3S/c7-14(11,12)4-2-1-3-10-5(4)13-6(8)9/h1-3,6H.
What are the key properties of 2-(difluoromethoxy)pyridine-3-sulfonyl chloride?
2-(difluoromethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 243.62 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 139300692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).