2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride

C7H2ClF5O2S — CID 169448398

IUPAC2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C7H2ClF5O2S/c8-16(14,15)4-2-1-3(7(11,12)13)5(9)6(4)10/h1-2H
InChIKeyDOHKVBLBMRPRPS-UHFFFAOYSA-N
MW280.60 g/mol
LogP2.91
Rot. Bonds1

About 2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride

2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 169448398) has the molecular formula C7H2ClF5O2S and a molecular weight of 280.60 g/mol. Its IUPAC name is 2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID169448398
Molecular FormulaC7H2ClF5O2S
Molecular Weight280.60 g/mol
Exact Mass279.94
IUPAC Name2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C7H2ClF5O2S/c8-16(14,15)4-2-1-3(7(11,12)13)5(9)6(4)10/h1-2H
InChIKeyDOHKVBLBMRPRPS-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

4-Methylbenzenesulfonyl fluoride
CID 9965
4-Toluenesulfonyl chloride
CID 7397
p-Toluenesulfonate
CID 85570
4-(Trifluoromethyl)benzenesulfonamide
CID 70018
2,2,3,3-Tetrafluoropropyl 4-toluenesulfonate
CID 2060597
2-Trifluoromethylbenzenesulphonyl chloride
CID 136616
2,2,3,3,3-Pentafluoropropyl p-Toluenesulfonate
CID 2776017
4-Methylbenzene-1-sulfonyl bromide
CID 10130885
S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate
CID 97601
2-Fluoro-5-(trifluoromethyl)benzene-1-sulfonamide
CID 10037409
3,5-Bis(trifluoromethyl)benzenesulphonyl chloride
CID 520945
3-(Trifluoromethyl)benzenesulfonyl chloride
CID 2733250

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride (CID 169448398) is 2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(C(F)(F)F)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is DOHKVBLBMRPRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF5O2S/c8-16(14,15)4-2-1-3(7(11,12)13)5(9)6(4)10/h1-2H.
What are the key properties of 2,3-difluoro-4-(trifluoromethyl)benzenesulfonyl chloride?
2,3-difluoro-4-(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-4-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 169448398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).