1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid

C11H13N3O5S — CID 106336990

IUPAC1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESCNS(=O)(=O)CCn1c(=O)[nH]c2cc(C(=O)O)ccc21
InChIInChI=1S/C11H13N3O5S/c1-12-20(18,19)5-4-14-9-3-2-7(10(15)16)6-8(9)13-11(14)17/h2-3,6,12H,4-5H2,1H3,(H,13,17)(H,15,16)
InChIKeyBKMONIKELZUBQK-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.42
Rot. Bonds5

About 1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid

1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid (PubChem CID 106336990) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
PubChem CID106336990
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESCNS(=O)(=O)CCn1c(=O)[nH]c2cc(C(=O)O)ccc21
InChIInChI=1S/C11H13N3O5S/c1-12-20(18,19)5-4-14-9-3-2-7(10(15)16)6-8(9)13-11(14)17/h2-3,6,12H,4-5H2,1H3,(H,13,17)(H,15,16)
InChIKeyBKMONIKELZUBQK-UHFFFAOYSA-N
XLogP-0.42
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylsulfonylethyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 54934884
3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 106336998
1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 83114218
1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 43591138
1-[2-(methylsulfamoyl)ethyl]benzimidazole-5-carboxylic acid
CID 106339626
1-(2-acetamidoethyl)-2,3-dioxo-4H-quinoxaline-6-carboxylic acid
CID 43552815
2-oxo-3-(3,3,3-trifluoropropyl)-1H-benzimidazole-5-carboxylic acid
CID 82783777
1-(1-methylsulfonylpropan-2-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 64643795
1-(2-ethoxyethyl)-N-ethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70775195
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 106373255
1-(3-methoxy-3-oxopropyl)-2,3-dioxo-4H-quinoxaline-6-carboxylic acid
CID 61293728
1-(2-ethoxyethyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70707341

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid (CID 106336990) is 1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid is CNS(=O)(=O)CCn1c(=O)[nH]c2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid?
The InChIKey is BKMONIKELZUBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-12-20(18,19)5-4-14-9-3-2-7(10(15)16)6-8(9)13-11(14)17/h2-3,6,12H,4-5H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid?
1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 106336990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).