5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid

C13H16N2O4S — CID 762629

IUPAC5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c2c1
InChIInChI=1S/C13H16N2O4S/c1-3-15(4-2)20(18,19)9-5-6-12-10(7-9)11(8-14-12)13(16)17/h5-8,14H,3-4H2,1-2H3,(H,16,17)
InChIKeyVUTQTXIJKGTCHG-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.90
Rot. Bonds5

About 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid

5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid (PubChem CID 762629) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid
PubChem CID762629
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c2c1
InChIInChI=1S/C13H16N2O4S/c1-3-15(4-2)20(18,19)9-5-6-12-10(7-9)11(8-14-12)13(16)17/h5-8,14H,3-4H2,1-2H3,(H,16,17)
InChIKeyVUTQTXIJKGTCHG-UHFFFAOYSA-N
XLogP1.90
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid?
The IUPAC name of 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid (CID 762629) is 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid.
What is the SMILES notation for 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid?
The canonical SMILES for 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid is CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c2c1.
What is the InChIKey of 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid?
The InChIKey is VUTQTXIJKGTCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-3-15(4-2)20(18,19)9-5-6-12-10(7-9)11(8-14-12)13(16)17/h5-8,14H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid?
5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid has a molecular weight of 296.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid is sourced from PubChem (CID 762629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).