ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate

C10H11N3O4S — CID 18354850

IUPACethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate
SMILESCCOC(=O)c1cccc2[nH]c(S(N)(=O)=O)nc12
InChIInChI=1S/C10H11N3O4S/c1-2-17-9(14)6-4-3-5-7-8(6)13-10(12-7)18(11,15)16/h3-5H,2H2,1H3,(H,12,13)(H2,11,15,16)
InChIKeyIBBWNQQXGHUETG-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.39
Rot. Bonds3

About ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate

ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate (PubChem CID 18354850) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate
PubChem CID18354850
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Nameethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate
SMILESCCOC(=O)c1cccc2[nH]c(S(N)(=O)=O)nc12
InChIInChI=1S/C10H11N3O4S/c1-2-17-9(14)6-4-3-5-7-8(6)13-10(12-7)18(11,15)16/h3-5H,2H2,1H3,(H,12,13)(H2,11,15,16)
InChIKeyIBBWNQQXGHUETG-UHFFFAOYSA-N
XLogP0.39
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-sulfamoyl-1H-benzimidazole-4-carboxylic acid
CID 18355034
ethyl 2-methyl-1H-benzimidazole-4-carboxylate
CID 18680979
ethyl 2-tert-butyl-1H-benzimidazole-4-carboxylate
CID 83422569
diethyl phenazine-1,6-dicarboxylate
CID 71514835
ethyl 3-bromo-2-sulfamoylbenzoate
CID 18434647
ethyl 2H-benzotriazole-4-carboxylate
CID 14534407
ethane;ethyl 2-[(2Z,4Z)-2-aminohexa-2,4-dien-3-yl]-1H-benzimidazole-4-carboxylate;prop-1-yne
CID 142262331
ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate
CID 58344441
2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63030910
ethyl 2-amino-1,3-benzothiazole-4-carboxylate
CID 19894837
ethyl 4-iodo-1H-benzimidazole-2-carboxylate
CID 131472468
methyl 2-(1-methylsulfonylethyl)-1H-benzimidazole-4-carboxylate
CID 113422213

Frequently Asked Questions

What is the IUPAC name of ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate?
The IUPAC name of ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate (CID 18354850) is ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate?
The canonical SMILES for ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate is CCOC(=O)c1cccc2[nH]c(S(N)(=O)=O)nc12.
What is the InChIKey of ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate?
The InChIKey is IBBWNQQXGHUETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-2-17-9(14)6-4-3-5-7-8(6)13-10(12-7)18(11,15)16/h3-5H,2H2,1H3,(H,12,13)(H2,11,15,16).
What are the key properties of ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate?
ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate has a molecular weight of 269.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 18354850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).