3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid

C12H15NO6S — CID 64888281

IUPAC3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NC2(C(=O)O)CCOC2)cc1
InChIInChI=1S/C12H15NO6S/c1-18-9-2-4-10(5-3-9)20(16,17)13-12(11(14)15)6-7-19-8-12/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyHSZYBLWALNIYAO-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.22
Rot. Bonds5

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

3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 64888281) has the molecular formula C12H15NO6S and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid
PubChem CID64888281
Molecular FormulaC12H15NO6S
Molecular Weight301.32 g/mol
Exact Mass301.06
IUPAC Name3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NC2(C(=O)O)CCOC2)cc1
InChIInChI=1S/C12H15NO6S/c1-18-9-2-4-10(5-3-9)20(16,17)13-12(11(14)15)6-7-19-8-12/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyHSZYBLWALNIYAO-UHFFFAOYSA-N
XLogP0.22
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157
3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid
CID 166179457
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid
CID 64888670
3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888666
methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 22907072
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 103848152
4-[[4-[1-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]oxane-4-carboxylic acid
CID 18703979
4-[(3,4-dimethylphenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291935
4-[(4-cyanophenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291922
3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid
CID 166289255
3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64889956
3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 106265659

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid (CID 64888281) is 3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid is COc1ccc(S(=O)(=O)NC2(C(=O)O)CCOC2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is HSZYBLWALNIYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6S/c1-18-9-2-4-10(5-3-9)20(16,17)13-12(11(14)15)6-7-19-8-12/h2-5,13H,6-8H2,1H3,(H,14,15).
What are the key properties of 3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid?
3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 301.32 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).