4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid

C13H17NO5S — CID 66240671

IUPAC4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCc1ccc(C)c(S(=O)(=O)NC2COCC2C(=O)O)c1
InChIInChI=1S/C13H17NO5S/c1-8-3-4-9(2)12(5-8)20(17,18)14-11-7-19-6-10(11)13(15)16/h3-5,10-11,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyULHXRBDJKGENDF-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.68
Rot. Bonds4

About 4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid

4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 66240671) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid
PubChem CID66240671
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCc1ccc(C)c(S(=O)(=O)NC2COCC2C(=O)O)c1
InChIInChI=1S/C13H17NO5S/c1-8-3-4-9(2)12(5-8)20(17,18)14-11-7-19-6-10(11)13(15)16/h3-5,10-11,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyULHXRBDJKGENDF-UHFFFAOYSA-N
XLogP0.68
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-cyano-2-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 106996515
N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031352
4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66239293
4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 66241459
4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 116527392
N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 122561460
4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66239487
N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 114297356
4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid
CID 82726035
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64818376
4-[[2-(2,5-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66223571

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid (CID 66240671) is 4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid is Cc1ccc(C)c(S(=O)(=O)NC2COCC2C(=O)O)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is ULHXRBDJKGENDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-8-3-4-9(2)12(5-8)20(17,18)14-11-7-19-6-10(11)13(15)16/h3-5,10-11,14H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid?
4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).