3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride

C7H5Cl2FO3S — CID 84709632

IUPAC3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(S(=O)(=O)Cl)ccc(F)c1Cl
InChIInChI=1S/C7H5Cl2FO3S/c1-13-7-5(14(9,11)12)3-2-4(10)6(7)8/h2-3H,1H3
InChIKeyCWHGLVNXZZZFPU-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.42
Rot. Bonds2

About 3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride

3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride (PubChem CID 84709632) has the molecular formula C7H5Cl2FO3S and a molecular weight of 259.09 g/mol. Its IUPAC name is 3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride
PubChem CID84709632
Molecular FormulaC7H5Cl2FO3S
Molecular Weight259.09 g/mol
Exact Mass257.93
IUPAC Name3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(S(=O)(=O)Cl)ccc(F)c1Cl
InChIInChI=1S/C7H5Cl2FO3S/c1-13-7-5(14(9,11)12)3-2-4(10)6(7)8/h2-3H,1H3
InChIKeyCWHGLVNXZZZFPU-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 3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride (CID 84709632) is 3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride is COc1c(S(=O)(=O)Cl)ccc(F)c1Cl.
What is the InChIKey of 3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride?
The InChIKey is CWHGLVNXZZZFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FO3S/c1-13-7-5(14(9,11)12)3-2-4(10)6(7)8/h2-3H,1H3.
What are the key properties of 3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride?
3-chloro-4-fluoro-2-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 3-chloro-4-fluoro-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 84709632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).