N-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide

C17H19N3O3S — CID 701131

IUPACN-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C17H19N3O3S/c1-18(12-13-7-5-4-6-8-13)24(22,23)14-9-10-15-16(11-14)20(3)17(21)19(15)2/h4-11H,12H2,1-3H3
InChIKeySYWXWCITJAGWAD-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.70
Rot. Bonds4

About N-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide

N-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 701131) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID701131
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C17H19N3O3S/c1-18(12-13-7-5-4-6-8-13)24(22,23)14-9-10-15-16(11-14)20(3)17(21)19(15)2/h4-11H,12H2,1-3H3
InChIKeySYWXWCITJAGWAD-UHFFFAOYSA-N
XLogP1.70
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide (CID 701131) is N-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is SYWXWCITJAGWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-18(12-13-7-5-4-6-8-13)24(22,23)14-9-10-15-16(11-14)20(3)17(21)19(15)2/h4-11H,12H2,1-3H3.
What are the key properties of N-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
N-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 701131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).