4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide

C22H19FN4O3S — CID 50825266

IUPAC4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2C)cc1
InChIInChI=1S/C22H19FN4O3S/c1-24-22(28)15-5-3-14(4-6-15)21-25-19-13-17(9-12-20(19)27(21)2)26-31(29,30)18-10-7-16(23)8-11-18/h3-13,26H,1-2H3,(H,24,28)
InChIKeyHEHVOULPQZUMTQ-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.54
Rot. Bonds5

About 4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide

4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide (PubChem CID 50825266) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
PubChem CID50825266
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC Name4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2C)cc1
InChIInChI=1S/C22H19FN4O3S/c1-24-22(28)15-5-3-14(4-6-15)21-25-19-13-17(9-12-20(19)27(21)2)26-31(29,30)18-10-7-16(23)8-11-18/h3-13,26H,1-2H3,(H,24,28)
InChIKeyHEHVOULPQZUMTQ-UHFFFAOYSA-N
XLogP3.54
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(3-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825229
4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825236
4-[5-[(4-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825278
4-[5-[(4-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N,N-diethylbenzamide
CID 50825285
N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide
CID 50825657
4-[5-(1H-imidazol-5-ylsulfonylamino)-1-methylbenzimidazol-2-yl]-N-propylbenzamide
CID 50825245
4-[1-methyl-5-[(4-methylphenyl)methylsulfonylamino]benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825351
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide
CID 122690142
N-[2-(4-fluorophenyl)-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 169245071
4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825233

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide?
The IUPAC name of 4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide (CID 50825266) is 4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2C)cc1.
What is the InChIKey of 4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide?
The InChIKey is HEHVOULPQZUMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-24-22(28)15-5-3-14(4-6-15)21-25-19-13-17(9-12-20(19)27(21)2)26-31(29,30)18-10-7-16(23)8-11-18/h3-13,26H,1-2H3,(H,24,28).
What are the key properties of 4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide?
4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide has a molecular weight of 438.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide is sourced from PubChem (CID 50825266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).