3,5-difluoro-4-methylpyridine-2-sulfonyl chloride

C6H4ClF2NO2S — CID 146421692

IUPAC3,5-difluoro-4-methylpyridine-2-sulfonyl chloride
SMILESCc1c(F)cnc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C6H4ClF2NO2S/c1-3-4(8)2-10-6(5(3)9)13(7,11)12/h2H,1H3
InChIKeySXNLZHVOMSWXRI-UHFFFAOYSA-N
MW227.62 g/mol
LogP1.60
Rot. Bonds1

About 3,5-difluoro-4-methylpyridine-2-sulfonyl chloride

3,5-difluoro-4-methylpyridine-2-sulfonyl chloride (PubChem CID 146421692) has the molecular formula C6H4ClF2NO2S and a molecular weight of 227.62 g/mol. Its IUPAC name is 3,5-difluoro-4-methylpyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3,5-difluoro-4-methylpyridine-2-sulfonyl chloride
PubChem CID146421692
Molecular FormulaC6H4ClF2NO2S
Molecular Weight227.62 g/mol
Exact Mass226.96
IUPAC Name3,5-difluoro-4-methylpyridine-2-sulfonyl chloride
SMILESCc1c(F)cnc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C6H4ClF2NO2S/c1-3-4(8)2-10-6(5(3)9)13(7,11)12/h2H,1H3
InChIKeySXNLZHVOMSWXRI-UHFFFAOYSA-N
XLogP1.60
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-methylpyridine-2-sulfonyl chloride?
The IUPAC name of 3,5-difluoro-4-methylpyridine-2-sulfonyl chloride (CID 146421692) is 3,5-difluoro-4-methylpyridine-2-sulfonyl chloride.
What is the SMILES notation for 3,5-difluoro-4-methylpyridine-2-sulfonyl chloride?
The canonical SMILES for 3,5-difluoro-4-methylpyridine-2-sulfonyl chloride is Cc1c(F)cnc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 3,5-difluoro-4-methylpyridine-2-sulfonyl chloride?
The InChIKey is SXNLZHVOMSWXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2NO2S/c1-3-4(8)2-10-6(5(3)9)13(7,11)12/h2H,1H3.
What are the key properties of 3,5-difluoro-4-methylpyridine-2-sulfonyl chloride?
3,5-difluoro-4-methylpyridine-2-sulfonyl chloride has a molecular weight of 227.62 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-methylpyridine-2-sulfonyl chloride is sourced from PubChem (CID 146421692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).