[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate

C15H14F3NO5S — CID 55730864

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C15H14F3NO5S/c1-19(2)25(21,22)13-8-7-10(24-13)9-23-14(20)11-5-3-4-6-12(11)15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyORCGARAWLPSQHX-UHFFFAOYSA-N
MW377.34 g/mol
LogP2.91
Rot. Bonds5

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate (PubChem CID 55730864) has the molecular formula C15H14F3NO5S and a molecular weight of 377.34 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate
PubChem CID55730864
Molecular FormulaC15H14F3NO5S
Molecular Weight377.34 g/mol
Exact Mass377.05
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C15H14F3NO5S/c1-19(2)25(21,22)13-8-7-10(24-13)9-23-14(20)11-5-3-4-6-12(11)15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyORCGARAWLPSQHX-UHFFFAOYSA-N
XLogP2.91
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)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

[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate
CID 55730810
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-chloro-4,5-difluorobenzoate
CID 55733852
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate
CID 55730706
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(methylsulfonylmethyl)benzoate
CID 55730894
[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 55730450
2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate
CID 91693936
[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-nitrofuran-2-carboxylate
CID 55730432
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 55730900
2,2,2-trichloroethyl 2-(trifluoromethyl)benzoate
CID 91726282
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate
CID 55998995
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-benzamido-3-phenylpropanoate
CID 55730624
bis[[2-(trifluoromethyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 91754080

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate (CID 55730864) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate is CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccccc2C(F)(F)F)o1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate?
The InChIKey is ORCGARAWLPSQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO5S/c1-19(2)25(21,22)13-8-7-10(24-13)9-23-14(20)11-5-3-4-6-12(11)15(16,17)18/h3-8H,9H2,1-2H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate has a molecular weight of 377.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate is sourced from PubChem (CID 55730864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).