6-ethylsulfonylpyridine-3-sulfonyl chloride

C7H8ClNO4S2 — CID 112572830

IUPAC6-ethylsulfonylpyridine-3-sulfonyl chloride
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C7H8ClNO4S2/c1-2-14(10,11)7-4-3-6(5-9-7)15(8,12)13/h3-5H,2H2,1H3
InChIKeyUARNGRKMNIXCST-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.80
Rot. Bonds3

About 6-ethylsulfonylpyridine-3-sulfonyl chloride

6-ethylsulfonylpyridine-3-sulfonyl chloride (PubChem CID 112572830) has the molecular formula C7H8ClNO4S2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-ethylsulfonylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-ethylsulfonylpyridine-3-sulfonyl chloride
PubChem CID112572830
Molecular FormulaC7H8ClNO4S2
Molecular Weight269.73 g/mol
Exact Mass268.96
IUPAC Name6-ethylsulfonylpyridine-3-sulfonyl chloride
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C7H8ClNO4S2/c1-2-14(10,11)7-4-3-6(5-9-7)15(8,12)13/h3-5H,2H2,1H3
InChIKeyUARNGRKMNIXCST-UHFFFAOYSA-N
XLogP0.80
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-propylsulfonylpyridine-3-sulfonyl chloride
CID 112572832
6-ethylsulfanylpyridine-3-sulfonyl chloride
CID 117167905
6-(hydroxymethyl)pyridine-3-sulfonyl chloride
CID 59177257
5-ethylpyridine-2-sulfonyl chloride
CID 130115711
6-(2-chlorophenyl)pyridine-3-sulfonyl chloride
CID 82307697
2-tert-butyl-5-ethylsulfonylpyridine
CID 146657361
ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate
CID 107334856
2-ethylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 56776923
methyl 5-chlorosulfonylpyridine-2-carboxylate
CID 55279599
6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride
CID 112572758
4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride
CID 124528667
4-butan-2-ylbenzenesulfonyl chloride
CID 3776048

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonylpyridine-3-sulfonyl chloride?
The IUPAC name of 6-ethylsulfonylpyridine-3-sulfonyl chloride (CID 112572830) is 6-ethylsulfonylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-ethylsulfonylpyridine-3-sulfonyl chloride?
The canonical SMILES for 6-ethylsulfonylpyridine-3-sulfonyl chloride is CCS(=O)(=O)c1ccc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 6-ethylsulfonylpyridine-3-sulfonyl chloride?
The InChIKey is UARNGRKMNIXCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO4S2/c1-2-14(10,11)7-4-3-6(5-9-7)15(8,12)13/h3-5H,2H2,1H3.
What are the key properties of 6-ethylsulfonylpyridine-3-sulfonyl chloride?
6-ethylsulfonylpyridine-3-sulfonyl chloride has a molecular weight of 269.73 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 112572830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).