2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid

C10H13NO5S — CID 117037884

IUPAC2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H13NO5S/c1-11-9(10(12)13)17(14,15)8-5-3-7(16-2)4-6-8/h3-6,9,11H,1-2H3,(H,12,13)
InChIKeyRJTKCMZLPNRPAU-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.10
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid

2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid (PubChem CID 117037884) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid
PubChem CID117037884
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H13NO5S/c1-11-9(10(12)13)17(14,15)8-5-3-7(16-2)4-6-8/h3-6,9,11H,1-2H3,(H,12,13)
InChIKeyRJTKCMZLPNRPAU-UHFFFAOYSA-N
XLogP0.10
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonyl)-2-(methylamino)acetic acid
CID 117037879
3-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
CID 64644955
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
3-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 54144139
2-hydroxy-4-(4-methoxyphenyl)sulfonylpentanoic acid
CID 70021771
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
CID 89120204
1-(4-methoxyphenyl)sulfonylethanamine
CID 117036167
(2S)-2-(4-methoxyphenyl)sulfonyloctanoic acid
CID 129382055
(2R)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid
CID 28753247
2-ethyl-4-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 138045011

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid (CID 117037884) is 2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid is CNC(C(=O)O)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid?
The InChIKey is RJTKCMZLPNRPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-11-9(10(12)13)17(14,15)8-5-3-7(16-2)4-6-8/h3-6,9,11H,1-2H3,(H,12,13).
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid?
2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid has a molecular weight of 259.28 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid is sourced from PubChem (CID 117037884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).