1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid

C11H13N3O4S — CID 106339626

IUPAC1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid
SMILESCNS(=O)(=O)CCn1cnc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H13N3O4S/c1-12-19(17,18)5-4-14-7-13-9-6-8(11(15)16)2-3-10(9)14/h2-3,6-7,12H,4-5H2,1H3,(H,15,16)
InChIKeyFNXPVMJVTRUZFS-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.28
Rot. Bonds5

About 1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid

1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid (PubChem CID 106339626) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid
PubChem CID106339626
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid
SMILESCNS(=O)(=O)CCn1cnc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H13N3O4S/c1-12-19(17,18)5-4-14-7-13-9-6-8(11(15)16)2-3-10(9)14/h2-3,6-7,12H,4-5H2,1H3,(H,15,16)
InChIKeyFNXPVMJVTRUZFS-UHFFFAOYSA-N
XLogP0.28
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid (CID 106339626) is 1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid is CNS(=O)(=O)CCn1cnc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid?
The InChIKey is FNXPVMJVTRUZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-12-19(17,18)5-4-14-7-13-9-6-8(11(15)16)2-3-10(9)14/h2-3,6-7,12H,4-5H2,1H3,(H,15,16).
What are the key properties of 1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid?
1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid has a molecular weight of 283.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 106339626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).