2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid

C13H19NO6S — CID 43631181

IUPAC2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1ccc(OC)cc1OC)C(=O)O
InChIInChI=1S/C13H19NO6S/c1-4-5-10(13(15)16)14-21(17,18)12-7-6-9(19-2)8-11(12)20-3/h6-8,10,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyONSYJURKSUCXAQ-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.24
Rot. Bonds8

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

2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid (PubChem CID 43631181) has the molecular formula C13H19NO6S and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid
PubChem CID43631181
Molecular FormulaC13H19NO6S
Molecular Weight317.36 g/mol
Exact Mass317.09
IUPAC Name2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1ccc(OC)cc1OC)C(=O)O
InChIInChI=1S/C13H19NO6S/c1-4-5-10(13(15)16)14-21(17,18)12-7-6-9(19-2)8-11(12)20-3/h6-8,10,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyONSYJURKSUCXAQ-UHFFFAOYSA-N
XLogP1.24
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-ethylsulfonylbutanoic acid
CID 108781283
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid
CID 43631274
2-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]pentanoic acid
CID 120820494
(2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid
CID 9403870
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62478089
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 93252502
(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 9115180
2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid
CID 43631169
(2S)-2-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 112733144
(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid
CID 104934669
2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid
CID 43631259

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid (CID 43631181) is 2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1ccc(OC)cc1OC)C(=O)O.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid?
The InChIKey is ONSYJURKSUCXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6S/c1-4-5-10(13(15)16)14-21(17,18)12-7-6-9(19-2)8-11(12)20-3/h6-8,10,14H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid?
2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid has a molecular weight of 317.36 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 43631181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).