[1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate

C19H17F2N3O5S — CID 16616883

IUPAC[1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)OCc3nccn3C(F)F)c2)cc1
InChIInChI=1S/C19H17F2N3O5S/c1-28-15-7-5-14(6-8-15)23-30(26,27)16-4-2-3-13(11-16)18(25)29-12-17-22-9-10-24(17)19(20)21/h2-11,19,23H,12H2,1H3
InChIKeyARFQWIFYVYIQIQ-UHFFFAOYSA-N
MW437.42 g/mol
LogP3.44
Rot. Bonds8

About [1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate

[1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 16616883) has the molecular formula C19H17F2N3O5S and a molecular weight of 437.42 g/mol. Its IUPAC name is [1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate
PubChem CID16616883
Molecular FormulaC19H17F2N3O5S
Molecular Weight437.42 g/mol
Exact Mass437.09
IUPAC Name[1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)OCc3nccn3C(F)F)c2)cc1
InChIInChI=1S/C19H17F2N3O5S/c1-28-15-7-5-14(6-8-15)23-30(26,27)16-4-2-3-13(11-16)18(25)29-12-17-22-9-10-24(17)19(20)21/h2-11,19,23H,12H2,1H3
InChIKeyARFQWIFYVYIQIQ-UHFFFAOYSA-N
XLogP3.44
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 42968334
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
[2-oxo-2-(pentylamino)ethyl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 34131828
3-[[(2-chloropyridine-4-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46638038
N-(4-methoxyphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 27662148
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55855139
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 43014117
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate (CID 16616883) is [1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for [1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate is COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCc3nccn3C(F)F)c2)cc1.
What is the InChIKey of [1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is ARFQWIFYVYIQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O5S/c1-28-15-7-5-14(6-8-15)23-30(26,27)16-4-2-3-13(11-16)18(25)29-12-17-22-9-10-24(17)19(20)21/h2-11,19,23H,12H2,1H3.
What are the key properties of [1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate?
[1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 437.42 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)imidazol-2-yl]methyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 16616883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).