2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride

C8H4ClF5O4S — CID 170997860

IUPAC2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1OC(F)F
InChIInChI=1S/C8H4ClF5O4S/c9-19(15,16)6-2-1-4(18-8(12,13)14)3-5(6)17-7(10)11/h1-3,7H
InChIKeyFNKUJDHILXRUNJ-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.11
Rot. Bonds4

About 2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride

2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 170997860) has the molecular formula C8H4ClF5O4S and a molecular weight of 326.63 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID170997860
Molecular FormulaC8H4ClF5O4S
Molecular Weight326.63 g/mol
Exact Mass325.94
IUPAC Name2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1OC(F)F
InChIInChI=1S/C8H4ClF5O4S/c9-19(15,16)6-2-1-4(18-8(12,13)14)3-5(6)17-7(10)11/h1-3,7H
InChIKeyFNKUJDHILXRUNJ-UHFFFAOYSA-N
XLogP3.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(2-bromo-1,1,2,2-tetrafluoroethoxy)benzenesulfonyl chloride
CID 22467807
2-(difluoromethoxy)-4-(trifluoromethoxy)aniline
CID 134617226
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
CID 170998746
2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride
CID 170997841
4-(difluoromethoxy)-5-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969510
2-chloro-1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]ethanone
CID 170997940
2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 165350168
5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
CID 51064979
2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride
CID 131456111
1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one
CID 118808993
3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride
CID 158036686

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride (CID 170997860) is 2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is FNKUJDHILXRUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF5O4S/c9-19(15,16)6-2-1-4(18-8(12,13)14)3-5(6)17-7(10)11/h1-3,7H.
What are the key properties of 2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride?
2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 326.63 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 170997860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).