2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride

C8H8ClFO2S2 — CID 23448671

IUPAC2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride
SMILESCCSc1cc(F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO2S2/c1-2-13-7-5-6(10)3-4-8(7)14(9,11)12/h3-5H,2H2,1H3
InChIKeyUNBMJTVIINRBCZ-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.87
Rot. Bonds3

About 2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride

2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride (PubChem CID 23448671) has the molecular formula C8H8ClFO2S2 and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride
PubChem CID23448671
Molecular FormulaC8H8ClFO2S2
Molecular Weight254.74 g/mol
Exact Mass253.96
IUPAC Name2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride
SMILESCCSc1cc(F)ccc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO2S2/c1-2-13-7-5-6(10)3-4-8(7)14(9,11)12/h3-5H,2H2,1H3
InChIKeyUNBMJTVIINRBCZ-UHFFFAOYSA-N
XLogP2.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethylsulfanyl-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-4-fluorobenzenesulfonyl chloride
CID 87439180
2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride
CID 155943282
5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 78986424
ethyl 2-ethylsulfanyl-4-fluorobenzoate
CID 91875883
2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene
CID 68919271
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
5-fluoro-2-pentoxybenzenesulfonyl chloride
CID 62104235
2-ethylsulfanyl-5-fluorobenzonitrile
CID 63667696
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
2-fluoro-4-methylsulfanylbenzenesulfonyl chloride
CID 84702221
5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride
CID 82695785
2-(3-ethylsulfonylpropoxy)-5-fluorobenzenesulfonyl chloride
CID 65094135

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride (CID 23448671) is 2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride is CCSc1cc(F)ccc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride?
The InChIKey is UNBMJTVIINRBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO2S2/c1-2-13-7-5-6(10)3-4-8(7)14(9,11)12/h3-5H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride?
2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride has a molecular weight of 254.74 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 23448671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).