[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate

C23H19F2N3O4S — CID 16624937

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1
InChIInChI=1S/C23H19F2N3O4S/c1-27(17-7-3-2-4-8-17)33(30,31)18-13-11-16(12-14-18)22(29)32-15-21-26-19-9-5-6-10-20(19)28(21)23(24)25/h2-14,23H,15H2,1H3
InChIKeyYUTKDLYARQGRSK-UHFFFAOYSA-N
MW471.49 g/mol
LogP4.61
Rot. Bonds7

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 16624937) has the molecular formula C23H19F2N3O4S and a molecular weight of 471.49 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID16624937
Molecular FormulaC23H19F2N3O4S
Molecular Weight471.49 g/mol
Exact Mass471.11
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1
InChIInChI=1S/C23H19F2N3O4S/c1-27(17-7-3-2-4-8-17)33(30,31)18-13-11-16(12-14-18)22(29)32-15-21-26-19-9-5-6-10-20(19)28(21)23(24)25/h2-14,23H,15H2,1H3
InChIKeyYUTKDLYARQGRSK-UHFFFAOYSA-N
XLogP4.61
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
CID 16624687
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16625051
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 16625230
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate
CID 16625572
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 16610074
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-methylsulfanyl-3-nitrobenzoate
CID 16963011
pyridin-3-ylmethyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 18083751
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate
CID 16624884
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16624802
[1-(difluoromethyl)benzimidazol-2-yl]methyl (E)-3-(4-sulfamoylphenyl)prop-2-enoate
CID 18207926
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16624854

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate (CID 16624937) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is YUTKDLYARQGRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O4S/c1-27(17-7-3-2-4-8-17)33(30,31)18-13-11-16(12-14-18)22(29)32-15-21-26-19-9-5-6-10-20(19)28(21)23(24)25/h2-14,23H,15H2,1H3.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 471.49 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 16624937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).