N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide

C9H11N3O3S — CID 1090943

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H11N3O3S/c1-2-16(14,15)12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5,12H,2H2,1H3,(H2,10,11,13)
InChIKeyKXVVDIRHDGFMOO-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.62
Rot. Bonds3

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide (PubChem CID 1090943) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide
PubChem CID1090943
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H11N3O3S/c1-2-16(14,15)12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5,12H,2H2,1H3,(H2,10,11,13)
InChIKeyKXVVDIRHDGFMOO-UHFFFAOYSA-N
XLogP0.62
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide (CID 1090943) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide?
The InChIKey is KXVVDIRHDGFMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-2-16(14,15)12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5,12H,2H2,1H3,(H2,10,11,13).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide has a molecular weight of 241.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 1090943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).