4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride

C8H3ClF3NO3S — CID 118844723

IUPAC4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride
SMILESN#Cc1cc(O)c(S(=O)(=O)Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H3ClF3NO3S/c9-17(15,16)7-5(8(10,11)12)1-4(3-13)2-6(7)14/h1-2,14H
InChIKeyDOGVUYSVEJPZOY-UHFFFAOYSA-N
MW285.63 g/mol
LogP2.21
Rot. Bonds1

About 4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride

4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 118844723) has the molecular formula C8H3ClF3NO3S and a molecular weight of 285.63 g/mol. Its IUPAC name is 4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID118844723
Molecular FormulaC8H3ClF3NO3S
Molecular Weight285.63 g/mol
Exact Mass284.95
IUPAC Name4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride
SMILESN#Cc1cc(O)c(S(=O)(=O)Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H3ClF3NO3S/c9-17(15,16)7-5(8(10,11)12)1-4(3-13)2-6(7)14/h1-2,14H
InChIKeyDOGVUYSVEJPZOY-UHFFFAOYSA-N
XLogP2.21
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.63
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride (CID 118844723) is 4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride is N#Cc1cc(O)c(S(=O)(=O)Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is DOGVUYSVEJPZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3NO3S/c9-17(15,16)7-5(8(10,11)12)1-4(3-13)2-6(7)14/h1-2,14H.
What are the key properties of 4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride?
4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 285.63 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-hydroxy-6-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 118844723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).