2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid

C13H19NO6S — CID 61454221

IUPAC2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)C(C)C(=O)O)c1
InChIInChI=1S/C13H19NO6S/c1-4-19-10-6-7-12(20-5-2)11(8-10)14-21(17,18)9(3)13(15)16/h6-9,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyCYQDZQSXGIBALP-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.70
Rot. Bonds8

About 2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid

2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid (PubChem CID 61454221) has the molecular formula C13H19NO6S and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid
PubChem CID61454221
Molecular FormulaC13H19NO6S
Molecular Weight317.36 g/mol
Exact Mass317.09
IUPAC Name2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)C(C)C(=O)O)c1
InChIInChI=1S/C13H19NO6S/c1-4-19-10-6-7-12(20-5-2)11(8-10)14-21(17,18)9(3)13(15)16/h6-9,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyCYQDZQSXGIBALP-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 54968220
N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide
CID 3792893
2-(2,5-diethoxyanilino)-N-ethylpropanamide
CID 43088911
N-(2,5-diethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 60703669
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 61455369
2-acetamido-N-(2,5-diethoxyphenyl)propanamide
CID 78778179
2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide
CID 43114050
4-(2,5-diethoxyanilino)butanoic acid
CID 18071438
(2,5-diethoxyphenyl)hydrazine
CID 119006370

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid (CID 61454221) is 2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid is CCOc1ccc(OCC)c(NS(=O)(=O)C(C)C(=O)O)c1.
What is the InChIKey of 2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid?
The InChIKey is CYQDZQSXGIBALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6S/c1-4-19-10-6-7-12(20-5-2)11(8-10)14-21(17,18)9(3)13(15)16/h6-9,14H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid?
2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid has a molecular weight of 317.36 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61454221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).