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

C12H15N3O5S — CID 106336998

IUPAC3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESCCNS(=O)(=O)CCn1c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C12H15N3O5S/c1-2-13-21(19,20)6-5-15-10-7-8(11(16)17)3-4-9(10)14-12(15)18/h3-4,7,13H,2,5-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyMJEQTAKIJXIZRU-UHFFFAOYSA-N
MW313.34 g/mol
LogP-0.03
Rot. Bonds6

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

3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid (PubChem CID 106336998) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
PubChem CID106336998
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
SMILESCCNS(=O)(=O)CCn1c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C12H15N3O5S/c1-2-13-21(19,20)6-5-15-10-7-8(11(16)17)3-4-9(10)14-12(15)18/h3-4,7,13H,2,5-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyMJEQTAKIJXIZRU-UHFFFAOYSA-N
XLogP-0.03
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 106336990
1-(2-methylsulfonylethyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 54934884
2-oxo-3-(3,3,3-trifluoropropyl)-1H-benzimidazole-5-carboxylic acid
CID 82783777
3-[(1-methylpyrazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82873640
3-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 158875764
5-acetyl-3-hexyl-1H-benzimidazol-2-one
CID 101435534
3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 66831509
3-[2-(cyclopropylamino)-2-oxoethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783974
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784604
1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 43591138
1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 83114218
3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide
CID 66831552

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid (CID 106336998) is 3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid is CCNS(=O)(=O)CCn1c(=O)[nH]c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid?
The InChIKey is MJEQTAKIJXIZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-2-13-21(19,20)6-5-15-10-7-8(11(16)17)3-4-9(10)14-12(15)18/h3-4,7,13H,2,5-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid?
3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid has a molecular weight of 313.34 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylsulfamoyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 106336998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).