2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid

C11H12N2O4S — CID 82696049

IUPAC2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid
SMILESCc1c(S(N)(=O)=O)c2ccccc2n1CC(=O)O
InChIInChI=1S/C11H12N2O4S/c1-7-11(18(12,16)17)8-4-2-3-5-9(8)13(7)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)(H2,12,16,17)
InChIKeyYHJZKQNCKJECIA-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.68
Rot. Bonds3

About 2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid

2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid (PubChem CID 82696049) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid
PubChem CID82696049
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid
SMILESCc1c(S(N)(=O)=O)c2ccccc2n1CC(=O)O
InChIInChI=1S/C11H12N2O4S/c1-7-11(18(12,16)17)8-4-2-3-5-9(8)13(7)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)(H2,12,16,17)
InChIKeyYHJZKQNCKJECIA-UHFFFAOYSA-N
XLogP0.68
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid?
The IUPAC name of 2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid (CID 82696049) is 2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid is Cc1c(S(N)(=O)=O)c2ccccc2n1CC(=O)O.
What is the InChIKey of 2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid?
The InChIKey is YHJZKQNCKJECIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-7-11(18(12,16)17)8-4-2-3-5-9(8)13(7)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)(H2,12,16,17).
What are the key properties of 2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid?
2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid has a molecular weight of 268.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid is sourced from PubChem (CID 82696049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).