2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid

C13H17NO6S — CID 6493581

IUPAC2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid
SMILESCc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)O
InChIInChI=1S/C13H17NO6S/c1-10-8-11(2-3-12(10)20-9-13(15)16)21(17,18)14-4-6-19-7-5-14/h2-3,8H,4-7,9H2,1H3,(H,15,16)
InChIKeyYXEBSXYGUFCDLG-UHFFFAOYSA-N
MW315.35 g/mol
LogP0.48
Rot. Bonds5

About 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid

2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid (PubChem CID 6493581) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid
PubChem CID6493581
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC Name2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid
SMILESCc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)O
InChIInChI=1S/C13H17NO6S/c1-10-8-11(2-3-12(10)20-9-13(15)16)21(17,18)14-4-6-19-7-5-14/h2-3,8H,4-7,9H2,1H3,(H,15,16)
InChIKeyYXEBSXYGUFCDLG-UHFFFAOYSA-N
XLogP0.48
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid?
The IUPAC name of 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid (CID 6493581) is 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid?
The canonical SMILES for 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid is Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)O.
What is the InChIKey of 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid?
The InChIKey is YXEBSXYGUFCDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6S/c1-10-8-11(2-3-12(10)20-9-13(15)16)21(17,18)14-4-6-19-7-5-14/h2-3,8H,4-7,9H2,1H3,(H,15,16).
What are the key properties of 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid?
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid has a molecular weight of 315.35 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetic acid is sourced from PubChem (CID 6493581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).