oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate

C11H11F2NO5S — CID 65380294

IUPACoxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)OC2CCOC2)c1F
InChIInChI=1S/C11H11F2NO5S/c12-7-1-2-8(20(14,16)17)10(13)9(7)11(15)19-6-3-4-18-5-6/h1-2,6H,3-5H2,(H2,14,16,17)
InChIKeyDMJLYEHZKKIYAL-UHFFFAOYSA-N
MW307.27 g/mol
LogP0.56
Rot. Bonds3

About oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate

oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate (PubChem CID 65380294) has the molecular formula C11H11F2NO5S and a molecular weight of 307.27 g/mol. Its IUPAC name is oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate.

Molecular Properties

Compound Nameoxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate
PubChem CID65380294
Molecular FormulaC11H11F2NO5S
Molecular Weight307.27 g/mol
Exact Mass307.03
IUPAC Nameoxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)OC2CCOC2)c1F
InChIInChI=1S/C11H11F2NO5S/c12-7-1-2-8(20(14,16)17)10(13)9(7)11(15)19-6-3-4-18-5-6/h1-2,6H,3-5H2,(H2,14,16,17)
InChIKeyDMJLYEHZKKIYAL-UHFFFAOYSA-N
XLogP0.56
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65376083
oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate
CID 65381503
cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65398297
oxan-4-yl 2,6-difluoro-3-nitrobenzoate
CID 107123586
[(3S)-oxolan-3-yl] 4-chlorobenzoate
CID 95615076
oxolan-3-yl 4-fluorobenzoate
CID 63663417
oxolan-3-yl 4-aminobenzoate
CID 63558656
oxolan-3-yl 2-amino-4-chlorobenzoate
CID 63557456
oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818410
oxetan-3-yl 2-amino-6-fluorobenzoate
CID 102606816
3-(azepane-1-carbonyl)-2,4-difluorobenzenesulfonamide
CID 62090446
oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612767

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate?
The IUPAC name of oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate (CID 65380294) is oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate.
What is the SMILES notation for oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate?
The canonical SMILES for oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate is NS(=O)(=O)c1ccc(F)c(C(=O)OC2CCOC2)c1F.
What is the InChIKey of oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate?
The InChIKey is DMJLYEHZKKIYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO5S/c12-7-1-2-8(20(14,16)17)10(13)9(7)11(15)19-6-3-4-18-5-6/h1-2,6H,3-5H2,(H2,14,16,17).
What are the key properties of oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate?
oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate has a molecular weight of 307.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate is sourced from PubChem (CID 65380294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).