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

C10H13N3O3S — CID 22745222

IUPACN,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide
SMILESCN(C)S(=O)(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H13N3O3S/c1-13(2)17(15,16)6-7-3-4-8-9(5-7)12-10(14)11-8/h3-5H,6H2,1-2H3,(H2,11,12,14)
InChIKeyPLECGNNMSHSARO-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.25
Rot. Bonds3

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

N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide (PubChem CID 22745222) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide
PubChem CID22745222
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC NameN,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide
SMILESCN(C)S(=O)(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H13N3O3S/c1-13(2)17(15,16)6-7-3-4-8-9(5-7)12-10(14)11-8/h3-5H,6H2,1-2H3,(H2,11,12,14)
InChIKeyPLECGNNMSHSARO-UHFFFAOYSA-N
XLogP0.25
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide?
The IUPAC name of N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide (CID 22745222) is N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide.
What is the SMILES notation for N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide?
The canonical SMILES for N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide is CN(C)S(=O)(=O)Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide?
The InChIKey is PLECGNNMSHSARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-13(2)17(15,16)6-7-3-4-8-9(5-7)12-10(14)11-8/h3-5H,6H2,1-2H3,(H2,11,12,14).
What are the key properties of N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide?
N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide has a molecular weight of 255.30 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide is sourced from PubChem (CID 22745222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).