[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

C21H17F2N3O5S — CID 16625051

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCc1nc2ccccc2n1C(F)F)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H17F2N3O5S/c22-21(23)26-18-6-2-1-5-17(18)25-19(26)13-31-20(27)14-7-9-16(10-8-14)32(28,29)24-12-15-4-3-11-30-15/h1-11,21,24H,12-13H2
InChIKeyBTGSAZAGNKYKFU-UHFFFAOYSA-N
MW461.45 g/mol
LogP3.86
Rot. Bonds8

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 16625051) has the molecular formula C21H17F2N3O5S and a molecular weight of 461.45 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID16625051
Molecular FormulaC21H17F2N3O5S
Molecular Weight461.45 g/mol
Exact Mass461.09
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCc1nc2ccccc2n1C(F)F)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H17F2N3O5S/c22-21(23)26-18-6-2-1-5-17(18)25-19(26)13-31-20(27)14-7-9-16(10-8-14)32(28,29)24-12-15-4-3-11-30-15/h1-11,21,24H,12-13H2
InChIKeyBTGSAZAGNKYKFU-UHFFFAOYSA-N
XLogP3.86
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate 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

benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 16624937
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
CID 16624687
(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3970570
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2115625
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-fluoro-5-sulfamoylbenzoate
CID 18271109
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 43025997
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550215
[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663360
[1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18125541

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 16625051) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is BTGSAZAGNKYKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O5S/c22-21(23)26-18-6-2-1-5-17(18)25-19(26)13-31-20(27)14-7-9-16(10-8-14)32(28,29)24-12-15-4-3-11-30-15/h1-11,21,24H,12-13H2.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 461.45 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 16625051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).