2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid

C11H11NO4S2 — CID 14168442

IUPAC2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid
SMILESCNS(=O)(=O)c1sc2ccccc2c1CC(=O)O
InChIInChI=1S/C11H11NO4S2/c1-12-18(15,16)11-8(6-10(13)14)7-4-2-3-5-9(7)17-11/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyFKEUBZRMPYCPDE-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.44
Rot. Bonds4

About 2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid

2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid (PubChem CID 14168442) has the molecular formula C11H11NO4S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid
PubChem CID14168442
Molecular FormulaC11H11NO4S2
Molecular Weight285.35 g/mol
Exact Mass285.01
IUPAC Name2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid
SMILESCNS(=O)(=O)c1sc2ccccc2c1CC(=O)O
InChIInChI=1S/C11H11NO4S2/c1-12-18(15,16)11-8(6-10(13)14)7-4-2-3-5-9(7)17-11/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyFKEUBZRMPYCPDE-UHFFFAOYSA-N
XLogP1.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid?
The IUPAC name of 2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid (CID 14168442) is 2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid?
The canonical SMILES for 2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid is CNS(=O)(=O)c1sc2ccccc2c1CC(=O)O.
What is the InChIKey of 2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid?
The InChIKey is FKEUBZRMPYCPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S2/c1-12-18(15,16)11-8(6-10(13)14)7-4-2-3-5-9(7)17-11/h2-5,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid?
2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid has a molecular weight of 285.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfamoyl)-1-benzothiophen-3-yl]acetic acid is sourced from PubChem (CID 14168442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).