2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid

C12H17NO7S — CID 79469582

IUPAC2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid
SMILESCOc1ccc(S(=O)(=O)NCCOCC(=O)O)c(OC)c1
InChIInChI=1S/C12H17NO7S/c1-18-9-3-4-11(10(7-9)19-2)21(16,17)13-5-6-20-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyRNZWALCCWRMHKD-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.08
Rot. Bonds9

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

2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid (PubChem CID 79469582) has the molecular formula C12H17NO7S and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid
PubChem CID79469582
Molecular FormulaC12H17NO7S
Molecular Weight319.34 g/mol
Exact Mass319.07
IUPAC Name2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid
SMILESCOc1ccc(S(=O)(=O)NCCOCC(=O)O)c(OC)c1
InChIInChI=1S/C12H17NO7S/c1-18-9-3-4-11(10(7-9)19-2)21(16,17)13-5-6-20-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyRNZWALCCWRMHKD-UHFFFAOYSA-N
XLogP0.08
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
2-[2-[(2-chloro-4-methoxyphenyl)sulfonylmethylamino]ethoxy]acetic acid
CID 69317768
2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79456556
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113101989
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79457362
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide
CID 110416815
2-[2-[(4-methoxyphenyl)sulfonylmethylamino]ethoxy]acetic acid
CID 66703328
2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457271
2-[(2,4-dimethoxyphenyl)sulfonylamino]oxyacetamide
CID 112673485

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid (CID 79469582) is 2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid is COc1ccc(S(=O)(=O)NCCOCC(=O)O)c(OC)c1.
What is the InChIKey of 2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid?
The InChIKey is RNZWALCCWRMHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO7S/c1-18-9-3-4-11(10(7-9)19-2)21(16,17)13-5-6-20-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid?
2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid has a molecular weight of 319.34 g/mol, XLogP of 0.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid is sourced from PubChem (CID 79469582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).