2-chloro-3-ethylsulfonylpyridine

C7H8ClNO2S — CID 15324913

IUPAC2-chloro-3-ethylsulfonylpyridine
SMILESCCS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C7H8ClNO2S/c1-2-12(10,11)6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
InChIKeyKRIGAYSDVBBXLW-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.53
Rot. Bonds2

About 2-chloro-3-ethylsulfonylpyridine

2-chloro-3-ethylsulfonylpyridine (PubChem CID 15324913) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is 2-chloro-3-ethylsulfonylpyridine.

Molecular Properties

Compound Name2-chloro-3-ethylsulfonylpyridine
PubChem CID15324913
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Name2-chloro-3-ethylsulfonylpyridine
SMILESCCS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C7H8ClNO2S/c1-2-12(10,11)6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
InChIKeyKRIGAYSDVBBXLW-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
6-Chloro-N,N-diethylpyridine-3-sulfonamide
CID 2433226
Pyridine, 4-(2-(4-chlorophenylsulfonyl)ethyl)-, hydrochloride
CID 3050824
6-chloro-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 2433231
2-Chloro-5-(pyrrolidine-1-sulfonyl)pyridine
CID 2433223
2-(Methylsulfonyl)pyridine
CID 98667
6-chloro-N-methylpyridine-3-sulfonamide
CID 902063
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2433221
4-Methanesulfonylpyridine
CID 292487
2-Chloro-6-methanesulfonylpyridine
CID 676424
6-Chloropyridine-3-sulfonamide
CID 1201512
Pyridine, 3-(methylthio)-
CID 140425

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethylsulfonylpyridine?
The IUPAC name of 2-chloro-3-ethylsulfonylpyridine (CID 15324913) is 2-chloro-3-ethylsulfonylpyridine.
What is the SMILES notation for 2-chloro-3-ethylsulfonylpyridine?
The canonical SMILES for 2-chloro-3-ethylsulfonylpyridine is CCS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-3-ethylsulfonylpyridine?
The InChIKey is KRIGAYSDVBBXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-2-12(10,11)6-4-3-5-9-7(6)8/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-3-ethylsulfonylpyridine?
2-chloro-3-ethylsulfonylpyridine has a molecular weight of 205.67 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethylsulfonylpyridine is sourced from PubChem (CID 15324913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).