N-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide

C20H16FN3O2S — CID 44567365

IUPACN-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C20H16FN3O2S/c21-17-8-4-5-9-20(17)27(25,26)23-16-10-11-19-18(12-16)22-14-24(19)13-15-6-2-1-3-7-15/h1-12,14,23H,13H2
InChIKeyZBQXKOKVEDGYSJ-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.02
Rot. Bonds5

About N-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide

N-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide (PubChem CID 44567365) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide
PubChem CID44567365
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC NameN-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C20H16FN3O2S/c21-17-8-4-5-9-20(17)27(25,26)23-16-10-11-19-18(12-16)22-14-24(19)13-15-6-2-1-3-7-15/h1-12,14,23H,13H2
InChIKeyZBQXKOKVEDGYSJ-UHFFFAOYSA-N
XLogP4.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide 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-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide (CID 44567365) is N-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1ccccc1F.
What is the InChIKey of N-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide?
The InChIKey is ZBQXKOKVEDGYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c21-17-8-4-5-9-20(17)27(25,26)23-16-10-11-19-18(12-16)22-14-24(19)13-15-6-2-1-3-7-15/h1-12,14,23H,13H2.
What are the key properties of N-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide?
N-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide has a molecular weight of 381.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylbenzimidazol-5-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 44567365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).