4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride

C13H10ClFO3S — CID 18179424

IUPAC4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C13H10ClFO3S/c14-19(16,17)13-7-5-12(6-8-13)18-9-10-1-3-11(15)4-2-10/h1-8H,9H2
InChIKeyDAABFHOAKKNNRE-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.33
Rot. Bonds4

About 4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride

4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride (PubChem CID 18179424) has the molecular formula C13H10ClFO3S and a molecular weight of 300.74 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride
PubChem CID18179424
Molecular FormulaC13H10ClFO3S
Molecular Weight300.74 g/mol
Exact Mass300.00
IUPAC Name4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C13H10ClFO3S/c14-19(16,17)13-7-5-12(6-8-13)18-9-10-1-3-11(15)4-2-10/h1-8H,9H2
InChIKeyDAABFHOAKKNNRE-UHFFFAOYSA-N
XLogP3.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride (CID 18179424) is 4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride?
The InChIKey is DAABFHOAKKNNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO3S/c14-19(16,17)13-7-5-12(6-8-13)18-9-10-1-3-11(15)4-2-10/h1-8H,9H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride?
4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride has a molecular weight of 300.74 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 18179424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).