2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide

C22H17F2N3O2S — CID 59007968

IUPAC2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)cc(F)c3)[nH]c2c1
InChIInChI=1S/C22H17F2N3O2S/c1-25-30(28,29)21-5-3-2-4-18(21)15-7-8-19-20(12-15)27-22(26-19)9-6-14-10-16(23)13-17(24)11-14/h2-13,25H,1H3,(H,26,27)/b9-6+
InChIKeyQNCKMUIUKHPWQC-RMKNXTFCSA-N
MW425.46 g/mol
LogP4.59
Rot. Bonds5

About 2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide

2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide (PubChem CID 59007968) has the molecular formula C22H17F2N3O2S and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
PubChem CID59007968
Molecular FormulaC22H17F2N3O2S
Molecular Weight425.46 g/mol
Exact Mass425.10
IUPAC Name2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)cc(F)c3)[nH]c2c1
InChIInChI=1S/C22H17F2N3O2S/c1-25-30(28,29)21-5-3-2-4-18(21)15-7-8-19-20(12-15)27-22(26-19)9-6-14-10-16(23)13-17(24)11-14/h2-13,25H,1H3,(H,26,27)/b9-6+
InChIKeyQNCKMUIUKHPWQC-RMKNXTFCSA-N
XLogP4.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Enviradene
CID 6435398
2-(4'-Amidinobiphenyl-4-YL)-1H-benzimidazole-5-amidine
CID 5327049
N-[2-(2,5-diphenyl-1H-imidazol-4-yl)ethyl]-4-pentylbenzene-1-sulfonamide
CID 24825344
2,4,5-Tri-substituted imidazole, 6b
CID 24825345
6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole
CID 56649677
4-fluoro-3-methyl-N-(2-methyl-1H-benzimidazol-5-yl)benzenesulfonamide
CID 3160828
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 780101
N-{2-[5-(4-fluorophenyl)-2-phenyl-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825346
2-(3-phenylphenyl)-6-propylsulfonyl-1H-benzimidazole
CID 66575661
6-ethylsulfonyl-2-(4-fluoro-3-phenylphenyl)-1H-benzimidazole
CID 70682528
6-ethylsulfonyl-2-(2-fluoro-5-phenylphenyl)-1H-benzimidazole
CID 70697153
1-(4-Fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 755179

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide (CID 59007968) is 2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)cc(F)c3)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The InChIKey is QNCKMUIUKHPWQC-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H17F2N3O2S/c1-25-30(28,29)21-5-3-2-4-18(21)15-7-8-19-20(12-15)27-22(26-19)9-6-14-10-16(23)13-17(24)11-14/h2-13,25H,1H3,(H,26,27)/b9-6+.
What are the key properties of 2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide has a molecular weight of 425.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 59007968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).