5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride

C14H12ClFO2S — CID 82308252

IUPAC5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride
SMILESCCc1ccc(-c2ccc(F)c(S(=O)(=O)Cl)c2)cc1
InChIInChI=1S/C14H12ClFO2S/c1-2-10-3-5-11(6-4-10)12-7-8-13(16)14(9-12)19(15,17)18/h3-9H,2H2,1H3
InChIKeyFCAFKLCMWVPTJL-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.98
Rot. Bonds3

About 5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride

5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride (PubChem CID 82308252) has the molecular formula C14H12ClFO2S and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride
PubChem CID82308252
Molecular FormulaC14H12ClFO2S
Molecular Weight298.77 g/mol
Exact Mass298.02
IUPAC Name5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride
SMILESCCc1ccc(-c2ccc(F)c(S(=O)(=O)Cl)c2)cc1
InChIInChI=1S/C14H12ClFO2S/c1-2-10-3-5-11(6-4-10)12-7-8-13(16)14(9-12)19(15,17)18/h3-9H,2H2,1H3
InChIKeyFCAFKLCMWVPTJL-UHFFFAOYSA-N
XLogP3.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene
CID 18984130
5-(4-ethylphenyl)-2-fluoroaniline
CID 82078593
3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride
CID 161014490
5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride
CID 82307551
2-ethyl-4-fluorobenzenesulfonyl chloride
CID 87439180
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
2-fluoro-4-phenylbenzenesulfonyl chloride
CID 46314814
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene
CID 82119035
butan-2-yl 3-chlorosulfonyl-4-fluorobenzoate
CID 65397892
butyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65395773
1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene
CID 142025123

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride?
The IUPAC name of 5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride (CID 82308252) is 5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride is CCc1ccc(-c2ccc(F)c(S(=O)(=O)Cl)c2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride?
The InChIKey is FCAFKLCMWVPTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO2S/c1-2-10-3-5-11(6-4-10)12-7-8-13(16)14(9-12)19(15,17)18/h3-9H,2H2,1H3.
What are the key properties of 5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride?
5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride has a molecular weight of 298.77 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 82308252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).