methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate

C12H15N3O4S — CID 61456840

IUPACmethyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O4S/c1-19-12(16)8-20(17,18)13-7-6-11-14-9-4-2-3-5-10(9)15-11/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyZDCNPBQHXAJYMT-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.20
Rot. Bonds6

About methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate

methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate (PubChem CID 61456840) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate
PubChem CID61456840
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Namemethyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O4S/c1-19-12(16)8-20(17,18)13-7-6-11-14-9-4-2-3-5-10(9)15-11/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyZDCNPBQHXAJYMT-UHFFFAOYSA-N
XLogP0.20
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate
CID 78991650
ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate
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methyl 6-(1H-benzimidazol-2-yl)hexanoate
CID 11265100
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110711924
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110711922
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CID 78991617
methyl 2-(2-phenylethylsulfamoyl)acetate
CID 121221492
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate?
The IUPAC name of methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate (CID 61456840) is methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate.
What is the SMILES notation for methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate?
The canonical SMILES for methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate is COC(=O)CS(=O)(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate?
The InChIKey is ZDCNPBQHXAJYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-19-12(16)8-20(17,18)13-7-6-11-14-9-4-2-3-5-10(9)15-11/h2-5,13H,6-8H2,1H3,(H,14,15).
What are the key properties of methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate?
methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate has a molecular weight of 297.34 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate is sourced from PubChem (CID 61456840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).