N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide

C13H19N3O3S — CID 110791310

IUPACN-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C13H19N3O3S/c1-4-20(18,19)14-8-7-10-5-6-11-12(9-10)16(3)13(17)15(11)2/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyLXTBUWCLWNIBQS-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.36
Rot. Bonds5

About N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide

N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide (PubChem CID 110791310) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide
PubChem CID110791310
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C13H19N3O3S/c1-4-20(18,19)14-8-7-10-5-6-11-12(9-10)16(3)13(17)15(11)2/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyLXTBUWCLWNIBQS-UHFFFAOYSA-N
XLogP0.36
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide (CID 110791310) is N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide?
The InChIKey is LXTBUWCLWNIBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-4-20(18,19)14-8-7-10-5-6-11-12(9-10)16(3)13(17)15(11)2/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide?
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110791310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).