4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride

C7H5Cl2FO3S — CID 84806054

IUPAC4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)c(F)cc1Cl
InChIInChI=1S/C7H5Cl2FO3S/c1-13-6-3-7(14(9,11)12)5(10)2-4(6)8/h2-3H,1H3
InChIKeyLJJKNXDUARKHSK-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.42
Rot. Bonds2

About 4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride

4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride (PubChem CID 84806054) has the molecular formula C7H5Cl2FO3S and a molecular weight of 259.09 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride
PubChem CID84806054
Molecular FormulaC7H5Cl2FO3S
Molecular Weight259.09 g/mol
Exact Mass257.93
IUPAC Name4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)c(F)cc1Cl
InChIInChI=1S/C7H5Cl2FO3S/c1-13-6-3-7(14(9,11)12)5(10)2-4(6)8/h2-3H,1H3
InChIKeyLJJKNXDUARKHSK-UHFFFAOYSA-N
XLogP2.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride?
The IUPAC name of 4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride (CID 84806054) is 4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride is COc1cc(S(=O)(=O)Cl)c(F)cc1Cl.
What is the InChIKey of 4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride?
The InChIKey is LJJKNXDUARKHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FO3S/c1-13-6-3-7(14(9,11)12)5(10)2-4(6)8/h2-3H,1H3.
What are the key properties of 4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride?
4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride has a molecular weight of 259.09 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 84806054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).