N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide

C21H24N4O3S — CID 17218688

IUPACN-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCCCC2=O)nc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C21H24N4O3S/c1-24-19-11-10-16(23-29(27,28)17-7-3-2-4-8-17)15-18(19)22-20(24)12-14-25-13-6-5-9-21(25)26/h2-4,7-8,10-11,15,23H,5-6,9,12-14H2,1H3
InChIKeyQQYMVCDKMYUWLO-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.93
Rot. Bonds6

About N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide

N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide (PubChem CID 17218688) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
PubChem CID17218688
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCCCC2=O)nc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C21H24N4O3S/c1-24-19-11-10-16(23-29(27,28)17-7-3-2-4-8-17)15-18(19)22-20(24)12-14-25-13-6-5-9-21(25)26/h2-4,7-8,10-11,15,23H,5-6,9,12-14H2,1H3
InChIKeyQQYMVCDKMYUWLO-UHFFFAOYSA-N
XLogP2.93
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide (CID 17218688) is N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide is Cn1c(CCN2CCCCC2=O)nc2cc(NS(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is QQYMVCDKMYUWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-24-19-11-10-16(23-29(27,28)17-7-3-2-4-8-17)15-18(19)22-20(24)12-14-25-13-6-5-9-21(25)26/h2-4,7-8,10-11,15,23H,5-6,9,12-14H2,1H3.
What are the key properties of N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 412.52 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 17218688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).