2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C21H15F2N3O2S — CID 67165672

IUPAC2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(C=Cc3cccc(F)c3F)[nH]c2c1
InChIInChI=1S/C21H15F2N3O2S/c22-16-6-3-4-13(21(16)23)9-11-20-25-17-10-8-14(12-18(17)26-20)15-5-1-2-7-19(15)29(24,27)28/h1-12H,(H,25,26)(H2,24,27,28)
InChIKeyQONNZZIAUNKZJE-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.33
Rot. Bonds4

About 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 67165672) has the molecular formula C21H15F2N3O2S and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID67165672
Molecular FormulaC21H15F2N3O2S
Molecular Weight411.43 g/mol
Exact Mass411.09
IUPAC Name2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(C=Cc3cccc(F)c3F)[nH]c2c1
InChIInChI=1S/C21H15F2N3O2S/c22-16-6-3-4-13(21(16)23)9-11-20-25-17-10-8-14(12-18(17)26-20)15-5-1-2-7-19(15)29(24,27)28/h1-12H,(H,25,26)(H2,24,27,28)
InChIKeyQONNZZIAUNKZJE-UHFFFAOYSA-N
XLogP4.33
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-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

Related Compounds

CID 33919
CID 33919
CID 6435398
CID 6435398
CID 5327049
CID 5327049
CID 56649677
CID 56649677
CID 3160828
CID 3160828
CID 780101
CID 780101
CID 23663543
CID 23663543
CID 24825346
CID 24825346
CID 66575661
CID 66575661
CID 70682528
CID 70682528
CID 70697153
CID 70697153
CID 755179
CID 755179

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 67165672) is 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(C=Cc3cccc(F)c3F)[nH]c2c1.
What is the InChIKey of 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is QONNZZIAUNKZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2S/c22-16-6-3-4-13(21(16)23)9-11-20-25-17-10-8-14(12-18(17)26-20)15-5-1-2-7-19(15)29(24,27)28/h1-12H,(H,25,26)(H2,24,27,28).
What are the key properties of 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 411.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67165672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).