5-ethylpyridine-2-sulfonyl chloride

C7H8ClNO2S — CID 130115711

IUPAC5-ethylpyridine-2-sulfonyl chloride
SMILESCCc1ccc(S(=O)(=O)Cl)nc1
InChIInChI=1S/C7H8ClNO2S/c1-2-6-3-4-7(9-5-6)12(8,10)11/h3-5H,2H2,1H3
InChIKeyPXVBIXQDSSNRTG-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.57
Rot. Bonds2

About 5-ethylpyridine-2-sulfonyl chloride

5-ethylpyridine-2-sulfonyl chloride (PubChem CID 130115711) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is 5-ethylpyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-ethylpyridine-2-sulfonyl chloride
PubChem CID130115711
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Name5-ethylpyridine-2-sulfonyl chloride
SMILESCCc1ccc(S(=O)(=O)Cl)nc1
InChIInChI=1S/C7H8ClNO2S/c1-2-6-3-4-7(9-5-6)12(8,10)11/h3-5H,2H2,1H3
InChIKeyPXVBIXQDSSNRTG-UHFFFAOYSA-N
XLogP1.57
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethylpyridine-2-sulfonyl chloride?
The IUPAC name of 5-ethylpyridine-2-sulfonyl chloride (CID 130115711) is 5-ethylpyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-ethylpyridine-2-sulfonyl chloride?
The canonical SMILES for 5-ethylpyridine-2-sulfonyl chloride is CCc1ccc(S(=O)(=O)Cl)nc1.
What is the InChIKey of 5-ethylpyridine-2-sulfonyl chloride?
The InChIKey is PXVBIXQDSSNRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-2-6-3-4-7(9-5-6)12(8,10)11/h3-5H,2H2,1H3.
What are the key properties of 5-ethylpyridine-2-sulfonyl chloride?
5-ethylpyridine-2-sulfonyl chloride has a molecular weight of 205.67 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylpyridine-2-sulfonyl chloride is sourced from PubChem (CID 130115711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).