2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride

C7H4ClF3O4S — CID 122199046

IUPAC2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(OC(F)(F)F)c1O
InChIInChI=1S/C7H4ClF3O4S/c8-16(13,14)5-3-1-2-4(6(5)12)15-7(9,10)11/h1-3,12H
InChIKeyNGAYPCVYCJDRJD-UHFFFAOYSA-N
MW276.62 g/mol
LogP2.22
Rot. Bonds2

About 2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride

2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 122199046) has the molecular formula C7H4ClF3O4S and a molecular weight of 276.62 g/mol. Its IUPAC name is 2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID122199046
Molecular FormulaC7H4ClF3O4S
Molecular Weight276.62 g/mol
Exact Mass275.95
IUPAC Name2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(OC(F)(F)F)c1O
InChIInChI=1S/C7H4ClF3O4S/c8-16(13,14)5-3-1-2-4(6(5)12)15-7(9,10)11/h1-3,12H
InChIKeyNGAYPCVYCJDRJD-UHFFFAOYSA-N
XLogP2.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.62
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 170997703
2-iodo-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 170998339
2-fluoro-6-(trifluoromethoxy)phenol
CID 68960936
sodium 2-(trifluoromethoxy)benzenesulfonate
CID 112705039
3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 170998343
[2-hydroxy-3-(trifluoromethoxy)phenoxy]boronic acid
CID 172837844
2-iodosyl-3-(trifluoromethoxy)benzenesulfonic acid
CID 23357228
2-hydroxy-3-sulfanylbenzenesulfonyl chloride
CID 141345068
3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 130088894
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride (CID 122199046) is 2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(OC(F)(F)F)c1O.
What is the InChIKey of 2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is NGAYPCVYCJDRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O4S/c8-16(13,14)5-3-1-2-4(6(5)12)15-7(9,10)11/h1-3,12H.
What are the key properties of 2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride?
2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 276.62 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 122199046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).