4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid

C13H16FNO5S — CID 66245653

IUPAC4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCCN(C1COCC1C(=O)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO5S/c1-2-15(12-8-20-7-11(12)13(16)17)21(18,19)10-5-3-9(14)4-6-10/h3-6,11-12H,2,7-8H2,1H3,(H,16,17)
InChIKeyIPHNNSUPYZIJEI-UHFFFAOYSA-N
MW317.34 g/mol
LogP0.94
Rot. Bonds5

About 4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid

4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 66245653) has the molecular formula C13H16FNO5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
PubChem CID66245653
Molecular FormulaC13H16FNO5S
Molecular Weight317.34 g/mol
Exact Mass317.07
IUPAC Name4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCCN(C1COCC1C(=O)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO5S/c1-2-15(12-8-20-7-11(12)13(16)17)21(18,19)10-5-3-9(14)4-6-10/h3-6,11-12H,2,7-8H2,1H3,(H,16,17)
InChIKeyIPHNNSUPYZIJEI-UHFFFAOYSA-N
XLogP0.94
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 66247039
4-[(2,5-dichlorothiophen-3-yl)sulfonyl-ethylamino]oxolane-3-carboxylic acid
CID 66246843
4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66247631
4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid
CID 66245265
4-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]oxolane-3-carboxylic acid
CID 66236573
4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253595
4-[(2,4-difluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66235385
4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid
CID 114462823
4-[(3-bromothiophen-2-yl)sulfonyl-propylamino]oxolane-3-carboxylic acid
CID 66253020
4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66253214
4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66245238
4-[(5-fluoro-2-nitrophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236601

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid (CID 66245653) is 4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid is CCN(C1COCC1C(=O)O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is IPHNNSUPYZIJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5S/c1-2-15(12-8-20-7-11(12)13(16)17)21(18,19)10-5-3-9(14)4-6-10/h3-6,11-12H,2,7-8H2,1H3,(H,16,17).
What are the key properties of 4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 317.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).