5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide

C22H18ClN3O3S — CID 52941064

IUPAC5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)Cn2c(Cc3ccccc3)nc3ccccc32)ccc1Cl
InChIInChI=1S/C22H18ClN3O3S/c23-17-11-10-16(13-21(17)30(24,28)29)20(27)14-26-19-9-5-4-8-18(19)25-22(26)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H2,24,28,29)
InChIKeyUUAIBIWLOHLXLK-UHFFFAOYSA-N
MW439.92 g/mol
LogP3.81
Rot. Bonds6

About 5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide

5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide (PubChem CID 52941064) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is 5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide
PubChem CID52941064
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC Name5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)Cn2c(Cc3ccccc3)nc3ccccc32)ccc1Cl
InChIInChI=1S/C22H18ClN3O3S/c23-17-11-10-16(13-21(17)30(24,28)29)20(27)14-26-19-9-5-4-8-18(19)25-22(26)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H2,24,28,29)
InChIKeyUUAIBIWLOHLXLK-UHFFFAOYSA-N
XLogP3.81
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide?
The IUPAC name of 5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide (CID 52941064) is 5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for 5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for 5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide is NS(=O)(=O)c1cc(C(=O)Cn2c(Cc3ccccc3)nc3ccccc32)ccc1Cl.
What is the InChIKey of 5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide?
The InChIKey is UUAIBIWLOHLXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c23-17-11-10-16(13-21(17)30(24,28)29)20(27)14-26-19-9-5-4-8-18(19)25-22(26)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H2,24,28,29).
What are the key properties of 5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide?
5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide has a molecular weight of 439.92 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-benzylbenzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 52941064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).