2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C21H17N3O2S — CID 59007841

IUPAC2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H17N3O2S/c22-27(25,26)20-9-5-4-8-17(20)16-11-12-18-19(14-16)24-21(23-18)13-10-15-6-2-1-3-7-15/h1-14H,(H,23,24)(H2,22,25,26)/b13-10+
InChIKeyTYGHUKPXISIAIZ-JLHYYAGUSA-N
MW375.45 g/mol
LogP4.05
Rot. Bonds4

About 2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 59007841) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID59007841
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H17N3O2S/c22-27(25,26)20-9-5-4-8-17(20)16-11-12-18-19(14-16)24-21(23-18)13-10-15-6-2-1-3-7-15/h1-14H,(H,23,24)(H2,22,25,26)/b13-10+
InChIKeyTYGHUKPXISIAIZ-JLHYYAGUSA-N
XLogP4.05
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 59007841) is 2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is TYGHUKPXISIAIZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H17N3O2S/c22-27(25,26)20-9-5-4-8-17(20)16-11-12-18-19(14-16)24-21(23-18)13-10-15-6-2-1-3-7-15/h1-14H,(H,23,24)(H2,22,25,26)/b13-10+.
What are the key properties of 2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 59007841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).