4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride

C12H6Cl2F3NO3S — CID 2783039

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C12H6Cl2F3NO3S/c13-10-5-7(12(15,16)17)6-18-11(10)21-8-1-3-9(4-2-8)22(14,19)20/h1-6H
InChIKeyNEQIUPPXYAOTSF-UHFFFAOYSA-N
MW372.15 g/mol
LogP4.47
Rot. Bonds3

About 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride (PubChem CID 2783039) has the molecular formula C12H6Cl2F3NO3S and a molecular weight of 372.15 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride
PubChem CID2783039
Molecular FormulaC12H6Cl2F3NO3S
Molecular Weight372.15 g/mol
Exact Mass370.94
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C12H6Cl2F3NO3S/c13-10-5-7(12(15,16)17)6-18-11(10)21-8-1-3-9(4-2-8)22(14,19)20/h1-6H
InChIKeyNEQIUPPXYAOTSF-UHFFFAOYSA-N
XLogP4.47
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.15
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride (CID 2783039) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride?
The InChIKey is NEQIUPPXYAOTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO3S/c13-10-5-7(12(15,16)17)6-18-11(10)21-8-1-3-9(4-2-8)22(14,19)20/h1-6H.
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride has a molecular weight of 372.15 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonyl chloride is sourced from PubChem (CID 2783039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).