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

C9H11N3O3S — CID 22745195

IUPACN-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H11N3O3S/c1-10-16(14,15)5-6-2-3-7-8(4-6)12-9(13)11-7/h2-4,10H,5H2,1H3,(H2,11,12,13)
InChIKeyQJJAGLXISARFRA-UHFFFAOYSA-N
MW241.27 g/mol
LogP-0.09
Rot. Bonds3

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

N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide (PubChem CID 22745195) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide
PubChem CID22745195
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC NameN-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H11N3O3S/c1-10-16(14,15)5-6-2-3-7-8(4-6)12-9(13)11-7/h2-4,10H,5H2,1H3,(H2,11,12,13)
InChIKeyQJJAGLXISARFRA-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide?
The IUPAC name of N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide (CID 22745195) is N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide?
The canonical SMILES for N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide is CNS(=O)(=O)Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide?
The InChIKey is QJJAGLXISARFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-10-16(14,15)5-6-2-3-7-8(4-6)12-9(13)11-7/h2-4,10H,5H2,1H3,(H2,11,12,13).
What are the key properties of N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide?
N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide has a molecular weight of 241.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide is sourced from PubChem (CID 22745195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).