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

C15H15N3O3S — CID 6459094

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C15H15N3O3S/c1-17-13-9-8-11(10-14(13)18(2)15(17)19)16-22(20,21)12-6-4-3-5-7-12/h3-10,16H,1-2H3
InChIKeyDKIUWQHZRMYIIV-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.68
Rot. Bonds3

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 6459094) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
PubChem CID6459094
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C15H15N3O3S/c1-17-13-9-8-11(10-14(13)18(2)15(17)19)16-22(20,21)12-6-4-3-5-7-12/h3-10,16H,1-2H3
InChIKeyDKIUWQHZRMYIIV-UHFFFAOYSA-N
XLogP1.68
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.68
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)benzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (CID 6459094) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is DKIUWQHZRMYIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-17-13-9-8-11(10-14(13)18(2)15(17)19)16-22(20,21)12-6-4-3-5-7-12/h3-10,16H,1-2H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 1.68, 3 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)benzenesulfonamide is sourced from PubChem (CID 6459094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).