2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride

C7H4ClF3O2S — CID 155943282

IUPAC2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ccc1C(F)F
InChIInChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-4(9)1-2-5(6)7(10)11/h1-3,7H
InChIKeyBNLCJSDLXZIOFN-UHFFFAOYSA-N
MW244.62 g/mol
LogP2.69
Rot. Bonds2

About 2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride

2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride (PubChem CID 155943282) has the molecular formula C7H4ClF3O2S and a molecular weight of 244.62 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride
PubChem CID155943282
Molecular FormulaC7H4ClF3O2S
Molecular Weight244.62 g/mol
Exact Mass243.96
IUPAC Name2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ccc1C(F)F
InChIInChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-4(9)1-2-5(6)7(10)11/h1-3,7H
InChIKeyBNLCJSDLXZIOFN-UHFFFAOYSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.62
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride
CID 130096580
5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride
CID 57430825
2-ethylsulfanyl-4-fluorobenzenesulfonyl chloride
CID 23448671
2-amino-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130094943
2-ethyl-4-fluorobenzenesulfonyl chloride
CID 87439180
5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 78986424
2-(difluoromethyl)-4-nitrobenzenesulfonyl chloride
CID 63734804
2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
CID 58278987
3-(difluoromethyl)-4-methylsulfonylbenzenesulfonyl chloride
CID 112556121
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
5-fluoro-2,3-dimethylbenzenesulfonyl chloride
CID 130840588
2,5-difluorobenzenesulfonic acid;hydrochloride
CID 174777821

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride (CID 155943282) is 2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)ccc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride?
The InChIKey is BNLCJSDLXZIOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-4(9)1-2-5(6)7(10)11/h1-3,7H.
What are the key properties of 2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride?
2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride has a molecular weight of 244.62 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 155943282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).