2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride

C7H2ClF5O2S — CID 151611136

IUPAC2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)cc(F)c1F
InChIInChI=1S/C7H2ClF5O2S/c8-16(14,15)5-2-3(7(11,12)13)1-4(9)6(5)10/h1-2H
InChIKeyQMNBNMYDRGQTST-UHFFFAOYSA-N
MW280.60 g/mol
LogP2.91
Rot. Bonds1

About 2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride

2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 151611136) has the molecular formula C7H2ClF5O2S and a molecular weight of 280.60 g/mol. Its IUPAC name is 2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID151611136
Molecular FormulaC7H2ClF5O2S
Molecular Weight280.60 g/mol
Exact Mass279.94
IUPAC Name2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)cc(F)c1F
InChIInChI=1S/C7H2ClF5O2S/c8-16(14,15)5-2-3(7(11,12)13)1-4(9)6(5)10/h1-2H
InChIKeyQMNBNMYDRGQTST-UHFFFAOYSA-N
XLogP2.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.60
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,5-tetrafluorobenzenesulfonyl chloride
CID 22326053
2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 57361942
1,2,3-trichloro-5-(trifluoromethyl)benzene;1,2,3-trifluoro-5-(trifluoromethyl)benzene
CID 157268578
[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
CID 117462268
2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
CID 53399143
2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118832269
2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride
CID 169448398
2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 142108163
2-fluoro-4-(trifluoromethyl)benzenesulfonate
CID 22057394
3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
CID 2778610
3-cyclopropyl-5-(trifluoromethyl)benzenesulfonyl chloride
CID 119082926
2-fluoro-5-(trifluoromethyl)benzenesulfonic acid;hydrochloride
CID 174972192

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride (CID 151611136) is 2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(C(F)(F)F)cc(F)c1F.
What is the InChIKey of 2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is QMNBNMYDRGQTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF5O2S/c8-16(14,15)5-2-3(7(11,12)13)1-4(9)6(5)10/h1-2H.
What are the key properties of 2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride?
2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 280.60 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 151611136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).