3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride

C7H3Cl2F3O3S — CID 58531652

IUPAC3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C7H3Cl2F3O3S/c8-4-1-3(7(10,11)12)2-5(6(4)13)16(9,14)15/h1-2,13H
InChIKeyUWLBJXZDAKUSRY-UHFFFAOYSA-N
MW295.07 g/mol
LogP2.99
Rot. Bonds1

About 3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride

3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 58531652) has the molecular formula C7H3Cl2F3O3S and a molecular weight of 295.07 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID58531652
Molecular FormulaC7H3Cl2F3O3S
Molecular Weight295.07 g/mol
Exact Mass293.91
IUPAC Name3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C7H3Cl2F3O3S/c8-4-1-3(7(10,11)12)2-5(6(4)13)16(9,14)15/h1-2,13H
InChIKeyUWLBJXZDAKUSRY-UHFFFAOYSA-N
XLogP2.99
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.07
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride (CID 58531652) is 3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(C(F)(F)F)cc(Cl)c1O.
What is the InChIKey of 3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is UWLBJXZDAKUSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F3O3S/c8-4-1-3(7(10,11)12)2-5(6(4)13)16(9,14)15/h1-2,13H.
What are the key properties of 3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride?
3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 295.07 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 58531652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).