2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride

C12H12ClF2NO4S — CID 82911543

IUPAC2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
SMILESO=C(COc1ccc(S(=O)(=O)Cl)c(F)c1F)N1CCCC1
InChIInChI=1S/C12H12ClF2NO4S/c13-21(18,19)9-4-3-8(11(14)12(9)15)20-7-10(17)16-5-1-2-6-16/h3-4H,1-2,5-7H2
InChIKeyWUOZVUQITDQKQL-UHFFFAOYSA-N
MW339.75 g/mol
LogP1.89
Rot. Bonds4

About 2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride

2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride (PubChem CID 82911543) has the molecular formula C12H12ClF2NO4S and a molecular weight of 339.75 g/mol. Its IUPAC name is 2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
PubChem CID82911543
Molecular FormulaC12H12ClF2NO4S
Molecular Weight339.75 g/mol
Exact Mass339.01
IUPAC Name2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
SMILESO=C(COc1ccc(S(=O)(=O)Cl)c(F)c1F)N1CCCC1
InChIInChI=1S/C12H12ClF2NO4S/c13-21(18,19)9-4-3-8(11(14)12(9)15)20-7-10(17)16-5-1-2-6-16/h3-4H,1-2,5-7H2
InChIKeyWUOZVUQITDQKQL-UHFFFAOYSA-N
XLogP1.89
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride (CID 82911543) is 2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride is O=C(COc1ccc(S(=O)(=O)Cl)c(F)c1F)N1CCCC1.
What is the InChIKey of 2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride?
The InChIKey is WUOZVUQITDQKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO4S/c13-21(18,19)9-4-3-8(11(14)12(9)15)20-7-10(17)16-5-1-2-6-16/h3-4H,1-2,5-7H2.
What are the key properties of 2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride?
2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride has a molecular weight of 339.75 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82911543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).