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

C20H16BrN3O2S — CID 44567346

IUPACN-(1-benzylbenzimidazol-5-yl)-2-bromobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C20H16BrN3O2S/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
InChIKeyIBOYRIQWIYLDEK-UHFFFAOYSA-N
MW442.34 g/mol
LogP4.65
Rot. Bonds5

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

N-(1-benzylbenzimidazol-5-yl)-2-bromobenzenesulfonamide (PubChem CID 44567346) has the molecular formula C20H16BrN3O2S and a molecular weight of 442.34 g/mol. Its IUPAC name is N-(1-benzylbenzimidazol-5-yl)-2-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylbenzimidazol-5-yl)-2-bromobenzenesulfonamide
PubChem CID44567346
Molecular FormulaC20H16BrN3O2S
Molecular Weight442.34 g/mol
Exact Mass441.01
IUPAC NameN-(1-benzylbenzimidazol-5-yl)-2-bromobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C20H16BrN3O2S/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
InChIKeyIBOYRIQWIYLDEK-UHFFFAOYSA-N
XLogP4.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylbenzimidazol-5-yl)-2-bromobenzenesulfonamide?
The IUPAC name of N-(1-benzylbenzimidazol-5-yl)-2-bromobenzenesulfonamide (CID 44567346) is N-(1-benzylbenzimidazol-5-yl)-2-bromobenzenesulfonamide.
What is the SMILES notation for N-(1-benzylbenzimidazol-5-yl)-2-bromobenzenesulfonamide?
The canonical SMILES for N-(1-benzylbenzimidazol-5-yl)-2-bromobenzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1ccccc1Br.
What is the InChIKey of N-(1-benzylbenzimidazol-5-yl)-2-bromobenzenesulfonamide?
The InChIKey is IBOYRIQWIYLDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O2S/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-bromobenzenesulfonamide?
N-(1-benzylbenzimidazol-5-yl)-2-bromobenzenesulfonamide has a molecular weight of 442.34 g/mol, XLogP of 4.65, 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-bromobenzenesulfonamide is sourced from PubChem (CID 44567346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).