3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid

C11H13N3O4S — CID 106339628

IUPAC3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid
SMILESCNS(=O)(=O)CCn1cnc2cccc(C(=O)O)c21
InChIInChI=1S/C11H13N3O4S/c1-12-19(17,18)6-5-14-7-13-9-4-2-3-8(10(9)14)11(15)16/h2-4,7,12H,5-6H2,1H3,(H,15,16)
InChIKeyHSCSOEKBDXGNIL-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.28
Rot. Bonds5

About 3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid

3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid (PubChem CID 106339628) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid
PubChem CID106339628
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid
SMILESCNS(=O)(=O)CCn1cnc2cccc(C(=O)O)c21
InChIInChI=1S/C11H13N3O4S/c1-12-19(17,18)6-5-14-7-13-9-4-2-3-8(10(9)14)11(15)16/h2-4,7,12H,5-6H2,1H3,(H,15,16)
InChIKeyHSCSOEKBDXGNIL-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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Related Compounds

3-propylbenzimidazole-4-carboxylic acid
CID 82647147
3-[3-(methylamino)-3-oxopropyl]benzimidazole-4-carboxylic acid
CID 112577230
3-(3-methylbutyl)benzimidazole-4-carboxylic acid
CID 112577077
3-(3-amino-3-oxopropyl)benzimidazole-4-carboxylic acid
CID 112577165
3-(6-hydroxyhexyl)benzimidazole-4-carboxylic acid
CID 114008925
1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid
CID 106339626
3-benzylbenzimidazole-4-carboxylic acid
CID 83413316
3-[(1-methylpyrazol-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 112577417
3-(2,2-difluoro-3-hydroxypropyl)benzimidazole-4-carboxylic acid
CID 106176228
3-(2-pyridin-3-ylethyl)benzimidazole-4-carboxylic acid
CID 115932984
3-(4-imidazol-1-ylbutyl)benzimidazole-4-carboxylic acid
CID 115933215
3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid
CID 115933573

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid (CID 106339628) is 3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid is CNS(=O)(=O)CCn1cnc2cccc(C(=O)O)c21.
What is the InChIKey of 3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid?
The InChIKey is HSCSOEKBDXGNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-12-19(17,18)6-5-14-7-13-9-4-2-3-8(10(9)14)11(15)16/h2-4,7,12H,5-6H2,1H3,(H,15,16).
What are the key properties of 3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid?
3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-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 3-[2-(methylsulfamoyl)ethyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 106339628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).