3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride

C13H8Cl3FO3S — CID 60800740

IUPAC3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C13H8Cl3FO3S/c14-11-5-10(21(16,18)19)6-12(15)13(11)20-7-8-1-3-9(17)4-2-8/h1-6H,7H2
InChIKeyJZOSPHUIUUACLC-UHFFFAOYSA-N
MW369.63 g/mol
LogP4.64
Rot. Bonds4

About 3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride

3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride (PubChem CID 60800740) has the molecular formula C13H8Cl3FO3S and a molecular weight of 369.63 g/mol. Its IUPAC name is 3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride
PubChem CID60800740
Molecular FormulaC13H8Cl3FO3S
Molecular Weight369.63 g/mol
Exact Mass367.92
IUPAC Name3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C13H8Cl3FO3S/c14-11-5-10(21(16,18)19)6-12(15)13(11)20-7-8-1-3-9(17)4-2-8/h1-6H,7H2
InChIKeyJZOSPHUIUUACLC-UHFFFAOYSA-N
XLogP4.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.63
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride (CID 60800740) is 3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride?
The InChIKey is JZOSPHUIUUACLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3FO3S/c14-11-5-10(21(16,18)19)6-12(15)13(11)20-7-8-1-3-9(17)4-2-8/h1-6H,7H2.
What are the key properties of 3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride?
3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride has a molecular weight of 369.63 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 60800740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).