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

C10H13N3O3S — CID 648539

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C10H13N3O3S/c1-12-8-5-4-7(11-17(3,15)16)6-9(8)13(2)10(12)14/h4-6,11H,1-3H3
InChIKeySLXQPIUJPNUZIZ-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.25
Rot. Bonds2

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide (PubChem CID 648539) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide
PubChem CID648539
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C10H13N3O3S/c1-12-8-5-4-7(11-17(3,15)16)6-9(8)13(2)10(12)14/h4-6,11H,1-3H3
InChIKeySLXQPIUJPNUZIZ-UHFFFAOYSA-N
XLogP0.25
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide (CID 648539) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide is Cn1c(=O)n(C)c2cc(NS(C)(=O)=O)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide?
The InChIKey is SLXQPIUJPNUZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-12-8-5-4-7(11-17(3,15)16)6-9(8)13(2)10(12)14/h4-6,11H,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide has a molecular weight of 255.30 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide is sourced from PubChem (CID 648539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).