2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid

C12H17NO7S — CID 61244972

IUPAC2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(CCO)C(=O)O)c1
InChIInChI=1S/C12H17NO7S/c1-19-8-3-4-10(20-2)11(7-8)21(17,18)13-9(5-6-14)12(15)16/h3-4,7,9,13-14H,5-6H2,1-2H3,(H,15,16)
InChIKeyHRMAKTWNYUQCJT-UHFFFAOYSA-N
MW319.34 g/mol
LogP-0.18
Rot. Bonds8

About 2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid

2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 61244972) has the molecular formula C12H17NO7S and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID61244972
Molecular FormulaC12H17NO7S
Molecular Weight319.34 g/mol
Exact Mass319.07
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(CCO)C(=O)O)c1
InChIInChI=1S/C12H17NO7S/c1-19-8-3-4-10(20-2)11(7-8)21(17,18)13-9(5-6-14)12(15)16/h3-4,7,9,13-14H,5-6H2,1-2H3,(H,15,16)
InChIKeyHRMAKTWNYUQCJT-UHFFFAOYSA-N
XLogP-0.18
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-ethylsulfonylbutanoic acid
CID 108781283
(2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid
CID 9403870
(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 9115180
2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid
CID 43631181
2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244059
(2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid
CID 80751486
(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933823
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid
CID 43631274
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 9115181
tert-butyl 2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3740117
2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 86776629
2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid
CID 120820494

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid (CID 61244972) is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid is COc1ccc(OC)c(S(=O)(=O)NC(CCO)C(=O)O)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is HRMAKTWNYUQCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO7S/c1-19-8-3-4-10(20-2)11(7-8)21(17,18)13-9(5-6-14)12(15)16/h3-4,7,9,13-14H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid?
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 319.34 g/mol, XLogP of -0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61244972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).