N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide

C17H20N4O3S — CID 2979626

IUPACN-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
SMILESCN(C)c1cc2c(cc1NS(=O)(=O)c1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C17H20N4O3S/c1-19(2)14-11-16-15(20(3)17(22)21(16)4)10-13(14)18-25(23,24)12-8-6-5-7-9-12/h5-11,18H,1-4H3
InChIKeyZMQZRPGHQUJHRX-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.74
Rot. Bonds4

About N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide

N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide (PubChem CID 2979626) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
PubChem CID2979626
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
SMILESCN(C)c1cc2c(cc1NS(=O)(=O)c1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C17H20N4O3S/c1-19(2)14-11-16-15(20(3)17(22)21(16)4)10-13(14)18-25(23,24)12-8-6-5-7-9-12/h5-11,18H,1-4H3
InChIKeyZMQZRPGHQUJHRX-UHFFFAOYSA-N
XLogP1.74
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide (CID 2979626) is N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide is CN(C)c1cc2c(cc1NS(=O)(=O)c1ccccc1)n(C)c(=O)n2C.
What is the InChIKey of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide?
The InChIKey is ZMQZRPGHQUJHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-19(2)14-11-16-15(20(3)17(22)21(16)4)10-13(14)18-25(23,24)12-8-6-5-7-9-12/h5-11,18H,1-4H3.
What are the key properties of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide?
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 2979626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).