3-ethoxy-2,4-difluorobenzenesulfonyl chloride

C8H7ClF2O3S — CID 86811459

IUPAC3-ethoxy-2,4-difluorobenzenesulfonyl chloride
SMILESCCOc1c(F)ccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C8H7ClF2O3S/c1-2-14-8-5(10)3-4-6(7(8)11)15(9,12)13/h3-4H,2H2,1H3
InChIKeyPMOSAZVHCWSWQB-UHFFFAOYSA-N
MW256.66 g/mol
LogP2.29
Rot. Bonds3

About 3-ethoxy-2,4-difluorobenzenesulfonyl chloride

3-ethoxy-2,4-difluorobenzenesulfonyl chloride (PubChem CID 86811459) has the molecular formula C8H7ClF2O3S and a molecular weight of 256.66 g/mol. Its IUPAC name is 3-ethoxy-2,4-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-ethoxy-2,4-difluorobenzenesulfonyl chloride
PubChem CID86811459
Molecular FormulaC8H7ClF2O3S
Molecular Weight256.66 g/mol
Exact Mass255.98
IUPAC Name3-ethoxy-2,4-difluorobenzenesulfonyl chloride
SMILESCCOc1c(F)ccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C8H7ClF2O3S/c1-2-14-8-5(10)3-4-6(7(8)11)15(9,12)13/h3-4H,2H2,1H3
InChIKeyPMOSAZVHCWSWQB-UHFFFAOYSA-N
XLogP2.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,4-difluorobenzenesulfonyl chloride?
The IUPAC name of 3-ethoxy-2,4-difluorobenzenesulfonyl chloride (CID 86811459) is 3-ethoxy-2,4-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-ethoxy-2,4-difluorobenzenesulfonyl chloride?
The canonical SMILES for 3-ethoxy-2,4-difluorobenzenesulfonyl chloride is CCOc1c(F)ccc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 3-ethoxy-2,4-difluorobenzenesulfonyl chloride?
The InChIKey is PMOSAZVHCWSWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O3S/c1-2-14-8-5(10)3-4-6(7(8)11)15(9,12)13/h3-4H,2H2,1H3.
What are the key properties of 3-ethoxy-2,4-difluorobenzenesulfonyl chloride?
3-ethoxy-2,4-difluorobenzenesulfonyl chloride has a molecular weight of 256.66 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,4-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 86811459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).