N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide

C11H15N3O3S — CID 110400794

IUPACN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C11H15N3O3S/c1-2-18(16,17)12-7-8-14-10-6-4-3-5-9(10)13-11(14)15/h3-6,12H,2,7-8H2,1H3,(H,13,15)
InChIKeyUSADDQPXMKHWKT-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.27
Rot. Bonds5

About N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide

N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide (PubChem CID 110400794) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
PubChem CID110400794
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C11H15N3O3S/c1-2-18(16,17)12-7-8-14-10-6-4-3-5-9(10)13-11(14)15/h3-6,12H,2,7-8H2,1H3,(H,13,15)
InChIKeyUSADDQPXMKHWKT-UHFFFAOYSA-N
XLogP0.27
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide
CID 110603181
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]butane-1-sulfonamide
CID 110396484
3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400828
2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
CID 110617588
2,4-dimethyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400804
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110400819
2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110400838
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]propane-1-sulfonamide
CID 53470365
4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110400751
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383
3-[3-[2-(propylamino)ethoxy]propyl]-1H-benzimidazol-2-one
CID 106937920

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide (CID 110400794) is N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide?
The InChIKey is USADDQPXMKHWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-18(16,17)12-7-8-14-10-6-4-3-5-9(10)13-11(14)15/h3-6,12H,2,7-8H2,1H3,(H,13,15).
What are the key properties of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide?
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110400794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).