6-ethylsulfanylpyridine-3-sulfonyl chloride

C7H8ClNO2S2 — CID 117167905

IUPAC6-ethylsulfanylpyridine-3-sulfonyl chloride
SMILESCCSc1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C7H8ClNO2S2/c1-2-12-7-4-3-6(5-9-7)13(8,10)11/h3-5H,2H2,1H3
InChIKeySDEXBFBTUVLKAN-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.12
Rot. Bonds3

About 6-ethylsulfanylpyridine-3-sulfonyl chloride

6-ethylsulfanylpyridine-3-sulfonyl chloride (PubChem CID 117167905) has the molecular formula C7H8ClNO2S2 and a molecular weight of 237.73 g/mol. Its IUPAC name is 6-ethylsulfanylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-ethylsulfanylpyridine-3-sulfonyl chloride
PubChem CID117167905
Molecular FormulaC7H8ClNO2S2
Molecular Weight237.73 g/mol
Exact Mass236.97
IUPAC Name6-ethylsulfanylpyridine-3-sulfonyl chloride
SMILESCCSc1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C7H8ClNO2S2/c1-2-12-7-4-3-6(5-9-7)13(8,10)11/h3-5H,2H2,1H3
InChIKeySDEXBFBTUVLKAN-UHFFFAOYSA-N
XLogP2.12
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanylpyridine-3-sulfonyl chloride?
The IUPAC name of 6-ethylsulfanylpyridine-3-sulfonyl chloride (CID 117167905) is 6-ethylsulfanylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-ethylsulfanylpyridine-3-sulfonyl chloride?
The canonical SMILES for 6-ethylsulfanylpyridine-3-sulfonyl chloride is CCSc1ccc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 6-ethylsulfanylpyridine-3-sulfonyl chloride?
The InChIKey is SDEXBFBTUVLKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S2/c1-2-12-7-4-3-6(5-9-7)13(8,10)11/h3-5H,2H2,1H3.
What are the key properties of 6-ethylsulfanylpyridine-3-sulfonyl chloride?
6-ethylsulfanylpyridine-3-sulfonyl chloride has a molecular weight of 237.73 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 117167905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).