[1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate

C18H17F2N3O5S — CID 18125541

IUPAC[1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OCc1nccn1C(F)F
InChIInChI=1S/C18H17F2N3O5S/c1-12-4-5-14(29(25,26)22-10-13-3-2-8-27-13)9-15(12)17(24)28-11-16-21-6-7-23(16)18(19)20/h2-9,18,22H,10-11H2,1H3
InChIKeyWWAPIBOIINTIRT-UHFFFAOYSA-N
MW425.41 g/mol
LogP3.02
Rot. Bonds8

About [1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate

[1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate (PubChem CID 18125541) has the molecular formula C18H17F2N3O5S and a molecular weight of 425.41 g/mol. Its IUPAC name is [1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
PubChem CID18125541
Molecular FormulaC18H17F2N3O5S
Molecular Weight425.41 g/mol
Exact Mass425.09
IUPAC Name[1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OCc1nccn1C(F)F
InChIInChI=1S/C18H17F2N3O5S/c1-12-4-5-14(29(25,26)22-10-13-3-2-8-27-13)9-15(12)17(24)28-11-16-21-6-7-23(16)18(19)20/h2-9,18,22H,10-11H2,1H3
InChIKeyWWAPIBOIINTIRT-UHFFFAOYSA-N
XLogP3.02
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18099904
[2-(tert-butylamino)-2-oxoethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 55323321
(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 46691070
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 33495176
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 78863657
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 33495265
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 55323218
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16625051
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 56544048

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate (CID 18125541) is [1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OCc1nccn1C(F)F.
What is the InChIKey of [1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The InChIKey is WWAPIBOIINTIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O5S/c1-12-4-5-14(29(25,26)22-10-13-3-2-8-27-13)9-15(12)17(24)28-11-16-21-6-7-23(16)18(19)20/h2-9,18,22H,10-11H2,1H3.
What are the key properties of [1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
[1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate has a molecular weight of 425.41 g/mol, XLogP of 3.02, 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 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 18125541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).