methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate

C11H13N3O4S — CID 78991650

IUPACmethyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H13N3O4S/c1-18-11(15)7-19(16,17)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKeyARFDWVUMUXQNJZ-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.16
Rot. Bonds5

About methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate

methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate (PubChem CID 78991650) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate
PubChem CID78991650
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Namemethyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H13N3O4S/c1-18-11(15)7-19(16,17)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKeyARFDWVUMUXQNJZ-UHFFFAOYSA-N
XLogP0.16
TPSA101.15 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 ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate
CID 61456840
methyl 4-(1H-benzimidazol-2-ylmethylsulfamoyl)butanoate
CID 78991617
ethyl 3-(1H-benzimidazol-2-ylmethylsulfamoyl)propanoate
CID 78991615
methyl 6-(1H-benzimidazol-2-yl)hexanoate
CID 11265100
N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide
CID 79013941
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006
N-(1H-benzimidazol-2-ylmethyl)-2-methylsulfonylpropanamide
CID 112684952
N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide
CID 110711606
N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 78991651
N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 6735005
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate?
The IUPAC name of methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate (CID 78991650) is methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate is COC(=O)CS(=O)(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate?
The InChIKey is ARFDWVUMUXQNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-18-11(15)7-19(16,17)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5,12H,6-7H2,1H3,(H,13,14).
What are the key properties of methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate?
methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate has a molecular weight of 283.31 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate is sourced from PubChem (CID 78991650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).