2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride

C14H11Cl2FO3S — CID 43096033

IUPAC2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride
SMILESCc1ccc(OCc2ccc(F)cc2Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H11Cl2FO3S/c1-9-2-5-13(14(6-9)21(16,18)19)20-8-10-3-4-11(17)7-12(10)15/h2-7H,8H2,1H3
InChIKeyXUUYYDSAFXKOCY-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.29
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride

2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride (PubChem CID 43096033) has the molecular formula C14H11Cl2FO3S and a molecular weight of 349.21 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride
PubChem CID43096033
Molecular FormulaC14H11Cl2FO3S
Molecular Weight349.21 g/mol
Exact Mass347.98
IUPAC Name2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride
SMILESCc1ccc(OCc2ccc(F)cc2Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H11Cl2FO3S/c1-9-2-5-13(14(6-9)21(16,18)19)20-8-10-3-4-11(17)7-12(10)15/h2-7H,8H2,1H3
InChIKeyXUUYYDSAFXKOCY-UHFFFAOYSA-N
XLogP4.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride (CID 43096033) is 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride is Cc1ccc(OCc2ccc(F)cc2Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride?
The InChIKey is XUUYYDSAFXKOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO3S/c1-9-2-5-13(14(6-9)21(16,18)19)20-8-10-3-4-11(17)7-12(10)15/h2-7H,8H2,1H3.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride?
2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride has a molecular weight of 349.21 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 43096033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).