oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate

C11H9ClF2O5S — CID 65376083

IUPACoxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate
SMILESO=C(OC1CCOC1)c1c(F)ccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C11H9ClF2O5S/c12-20(16,17)8-2-1-7(13)9(10(8)14)11(15)19-6-3-4-18-5-6/h1-2,6H,3-5H2
InChIKeyYNDSKRDPUJZQEC-UHFFFAOYSA-N
MW326.70 g/mol
LogP1.84
Rot. Bonds3

About oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate

oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate (PubChem CID 65376083) has the molecular formula C11H9ClF2O5S and a molecular weight of 326.70 g/mol. Its IUPAC name is oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate.

Molecular Properties

Compound Nameoxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate
PubChem CID65376083
Molecular FormulaC11H9ClF2O5S
Molecular Weight326.70 g/mol
Exact Mass325.98
IUPAC Nameoxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate
SMILESO=C(OC1CCOC1)c1c(F)ccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C11H9ClF2O5S/c12-20(16,17)8-2-1-7(13)9(10(8)14)11(15)19-6-3-4-18-5-6/h1-2,6H,3-5H2
InChIKeyYNDSKRDPUJZQEC-UHFFFAOYSA-N
XLogP1.84
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.70
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate 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 oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate?
The IUPAC name of oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate (CID 65376083) is oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate.
What is the SMILES notation for oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate?
The canonical SMILES for oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate is O=C(OC1CCOC1)c1c(F)ccc(S(=O)(=O)Cl)c1F.
What is the InChIKey of oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate?
The InChIKey is YNDSKRDPUJZQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2O5S/c12-20(16,17)8-2-1-7(13)9(10(8)14)11(15)19-6-3-4-18-5-6/h1-2,6H,3-5H2.
What are the key properties of oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate?
oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate has a molecular weight of 326.70 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate is sourced from PubChem (CID 65376083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).