5-chloro-2-ethylsulfonylpyridine

C7H8ClNO2S — CID 23145153

IUPAC5-chloro-2-ethylsulfonylpyridine
SMILESCCS(=O)(=O)c1ccc(Cl)cn1
InChIInChI=1S/C7H8ClNO2S/c1-2-12(10,11)7-4-3-6(8)5-9-7/h3-5H,2H2,1H3
InChIKeyVMBDRTUOQYTNLE-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.53
Rot. Bonds2

About 5-chloro-2-ethylsulfonylpyridine

5-chloro-2-ethylsulfonylpyridine (PubChem CID 23145153) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is 5-chloro-2-ethylsulfonylpyridine.

Molecular Properties

Compound Name5-chloro-2-ethylsulfonylpyridine
PubChem CID23145153
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Name5-chloro-2-ethylsulfonylpyridine
SMILESCCS(=O)(=O)c1ccc(Cl)cn1
InChIInChI=1S/C7H8ClNO2S/c1-2-12(10,11)7-4-3-6(8)5-9-7/h3-5H,2H2,1H3
InChIKeyVMBDRTUOQYTNLE-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

Analyze 5-chloro-2-ethylsulfonylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 164047
CID 164047
CID 2433226
CID 2433226
CID 3050824
CID 3050824
CID 2433231
CID 2433231
CID 289829
CID 289829
CID 98667
CID 98667
CID 902063
CID 902063
CID 292487
CID 292487
CID 676424
CID 676424
CID 1201512
CID 1201512
CID 1479651
CID 1479651
CID 699459
CID 699459

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethylsulfonylpyridine?
The IUPAC name of 5-chloro-2-ethylsulfonylpyridine (CID 23145153) is 5-chloro-2-ethylsulfonylpyridine.
What is the SMILES notation for 5-chloro-2-ethylsulfonylpyridine?
The canonical SMILES for 5-chloro-2-ethylsulfonylpyridine is CCS(=O)(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-2-ethylsulfonylpyridine?
The InChIKey is VMBDRTUOQYTNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-2-12(10,11)7-4-3-6(8)5-9-7/h3-5H,2H2,1H3.
What are the key properties of 5-chloro-2-ethylsulfonylpyridine?
5-chloro-2-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 5-chloro-2-ethylsulfonylpyridine is sourced from PubChem (CID 23145153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).