3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid

C13H17NO6S — CID 64888666

IUPAC3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C13H17NO6S/c1-9-3-4-10(19-2)11(7-9)21(17,18)14-13(12(15)16)5-6-20-8-13/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyZTOUYRXDJYQELY-UHFFFAOYSA-N
MW315.35 g/mol
LogP0.53
Rot. Bonds5

About 3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid

3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 64888666) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
PubChem CID64888666
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC Name3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C13H17NO6S/c1-9-3-4-10(19-2)11(7-9)21(17,18)14-13(12(15)16)5-6-20-8-13/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyZTOUYRXDJYQELY-UHFFFAOYSA-N
XLogP0.53
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888281
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110292799
1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 84563243
3-hydroxy-1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 166389073
3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64889609
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzenesulfonamide
CID 106299135
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688788
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid
CID 64888670
3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid
CID 166289254
4-[(3-fluoro-2-methylphenyl)sulfonylamino]oxane-4-carboxylic acid
CID 167793627
3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid
CID 166179457
1-[(3,4-dimethoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81165222

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid (CID 64888666) is 3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid is COc1ccc(C)cc1S(=O)(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is ZTOUYRXDJYQELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6S/c1-9-3-4-10(19-2)11(7-9)21(17,18)14-13(12(15)16)5-6-20-8-13/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid?
3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).