2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid

C10H13NO5S — CID 22707109

IUPAC2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid
SMILESCNS(=O)(=O)c1cccc(C(OC)C(=O)O)c1
InChIInChI=1S/C10H13NO5S/c1-11-17(14,15)8-5-3-4-7(6-8)9(16-2)10(12)13/h3-6,9,11H,1-2H3,(H,12,13)
InChIKeyYOBSKVMGUKZBAE-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.37
Rot. Bonds5

About 2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid

2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid (PubChem CID 22707109) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid
PubChem CID22707109
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid
SMILESCNS(=O)(=O)c1cccc(C(OC)C(=O)O)c1
InChIInChI=1S/C10H13NO5S/c1-11-17(14,15)8-5-3-4-7(6-8)9(16-2)10(12)13/h3-6,9,11H,1-2H3,(H,12,13)
InChIKeyYOBSKVMGUKZBAE-UHFFFAOYSA-N
XLogP0.37
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615830
methyl (2R)-2-[[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615833
2-methoxy-2-(3-methylsulfonyloxyphenyl)acetic acid
CID 23034305
(2R)-2-(3-aminophenyl)-2-methoxyacetic acid
CID 67007354
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951139
1-(2-methoxyethyl)-3-[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]urea
CID 95186671
4-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoylamino]butanoic acid
CID 122000391
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide
CID 119316352
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119316349
2-[3-(methylsulfamoyl)anilino]butanoic acid
CID 113292402
3-hexan-3-yl-N-methylbenzenesulfonamide
CID 139318427

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid?
The IUPAC name of 2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid (CID 22707109) is 2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid?
The canonical SMILES for 2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid is CNS(=O)(=O)c1cccc(C(OC)C(=O)O)c1.
What is the InChIKey of 2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid?
The InChIKey is YOBSKVMGUKZBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-11-17(14,15)8-5-3-4-7(6-8)9(16-2)10(12)13/h3-6,9,11H,1-2H3,(H,12,13).
What are the key properties of 2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid?
2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid has a molecular weight of 259.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[3-(methylsulfamoyl)phenyl]acetic acid is sourced from PubChem (CID 22707109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).