3-Chloro-5-fluoro-2-methoxybenzenesulfonyl chloride

C7H5Cl2FO3S — CID 84709630

IUPAC3-chloro-5-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOC1=C(C=C(C=C1Cl)F)S(=O)(=O)Cl
InChIInChI=1S/C7H5Cl2FO3S/c1-13-7-5(8)2-4(10)3-6(7)14(9,11)12/h2-3H,1H3
InChIKeyQUBOMADARFGQBU-UHFFFAOYSA-N
MW259.08 g/mol
LogP2.60
Rot. Bonds2

About 3-Chloro-5-fluoro-2-methoxybenzenesulfonyl chloride

3-Chloro-5-fluoro-2-methoxybenzenesulfonyl chloride (PubChem CID 84709630) has the molecular formula C7H5Cl2FO3S and a molecular weight of 259.08 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-Chloro-5-fluoro-2-methoxybenzenesulfonyl chloride
PubChem CID84709630
Molecular FormulaC7H5Cl2FO3S
Molecular Weight259.08 g/mol
Exact Mass257.93
IUPAC Name3-chloro-5-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOC1=C(C=C(C=C1Cl)F)S(=O)(=O)Cl
InChIInChI=1S/C7H5Cl2FO3S/c1-13-7-5(8)2-4(10)3-6(7)14(9,11)12/h2-3H,1H3
InChIKeyQUBOMADARFGQBU-UHFFFAOYSA-N
XLogP2.60
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity290

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-Chloro-5-fluoro-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 3-Chloro-5-fluoro-2-methoxybenzenesulfonyl chloride (CID 84709630) is 3-chloro-5-fluoro-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-Chloro-5-fluoro-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 3-Chloro-5-fluoro-2-methoxybenzenesulfonyl chloride is COC1=C(C=C(C=C1Cl)F)S(=O)(=O)Cl.
What is the InChIKey of 3-Chloro-5-fluoro-2-methoxybenzenesulfonyl chloride?
The InChIKey is QUBOMADARFGQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FO3S/c1-13-7-5(8)2-4(10)3-6(7)14(9,11)12/h2-3H,1H3.
What are the key properties of 3-Chloro-5-fluoro-2-methoxybenzenesulfonyl chloride?
3-Chloro-5-fluoro-2-methoxybenzenesulfonyl chloride has a molecular weight of 259.08 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Chloro-5-fluoro-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 84709630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).