2-ethyl-4-fluorobenzenesulfonyl chloride

C8H8ClFO2S — CID 87439180

IUPAC2-ethyl-4-fluorobenzenesulfonyl chloride
SMILESCCc1cc(F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO2S/c1-2-6-5-7(10)3-4-8(6)13(9,11)12/h3-5H,2H2,1H3
InChIKeyUAUSJMRZCVHRGZ-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.32
Rot. Bonds2

About 2-ethyl-4-fluorobenzenesulfonyl chloride

2-ethyl-4-fluorobenzenesulfonyl chloride (PubChem CID 87439180) has the molecular formula C8H8ClFO2S and a molecular weight of 222.67 g/mol. Its IUPAC name is 2-ethyl-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-4-fluorobenzenesulfonyl chloride
PubChem CID87439180
Molecular FormulaC8H8ClFO2S
Molecular Weight222.67 g/mol
Exact Mass221.99
IUPAC Name2-ethyl-4-fluorobenzenesulfonyl chloride
SMILESCCc1cc(F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO2S/c1-2-6-5-7(10)3-4-8(6)13(9,11)12/h3-5H,2H2,1H3
InChIKeyUAUSJMRZCVHRGZ-UHFFFAOYSA-N
XLogP2.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-4-fluorobenzenesulfonyl chloride 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

2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene
CID 68919271
2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride
CID 23448671
2-ethyl-4-nitrobenzenesulfonyl chloride
CID 87194881
2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride
CID 57497788
2-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonyl chloride
CID 86713327
2-[(4-ethyl-2-oxopiperazin-1-yl)methyl]-4-fluorobenzenesulfonyl chloride
CID 86713352
2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride
CID 16776354
2-ethyl-1,4-difluorobenzene
CID 23202513
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
[2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride
CID 117382497
5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride
CID 82308252
5-fluoro-2-pentoxybenzenesulfonyl chloride
CID 62104235

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-ethyl-4-fluorobenzenesulfonyl chloride (CID 87439180) is 2-ethyl-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-ethyl-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-ethyl-4-fluorobenzenesulfonyl chloride is CCc1cc(F)ccc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethyl-4-fluorobenzenesulfonyl chloride?
The InChIKey is UAUSJMRZCVHRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO2S/c1-2-6-5-7(10)3-4-8(6)13(9,11)12/h3-5H,2H2,1H3.
What are the key properties of 2-ethyl-4-fluorobenzenesulfonyl chloride?
2-ethyl-4-fluorobenzenesulfonyl chloride has a molecular weight of 222.67 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 87439180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).