4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide

C18H17F3N2O4S — CID 155578559

IUPAC4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide
SMILESC=Cc1c(F)c(F)c(S(=O)(=O)N(C)C)c(OCc2ccc(C(N)=O)cc2)c1F
InChIInChI=1S/C18H17F3N2O4S/c1-4-12-13(19)15(21)17(28(25,26)23(2)3)16(14(12)20)27-9-10-5-7-11(8-6-10)18(22)24/h4-8H,1,9H2,2-3H3,(H2,22,24)
InChIKeyTWWQOVZJXYGFGV-UHFFFAOYSA-N
MW414.41 g/mol
LogP2.68
Rot. Bonds7

About 4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide

4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide (PubChem CID 155578559) has the molecular formula C18H17F3N2O4S and a molecular weight of 414.41 g/mol. Its IUPAC name is 4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide
PubChem CID155578559
Molecular FormulaC18H17F3N2O4S
Molecular Weight414.41 g/mol
Exact Mass414.09
IUPAC Name4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide
SMILESC=Cc1c(F)c(F)c(S(=O)(=O)N(C)C)c(OCc2ccc(C(N)=O)cc2)c1F
InChIInChI=1S/C18H17F3N2O4S/c1-4-12-13(19)15(21)17(28(25,26)23(2)3)16(14(12)20)27-9-10-5-7-11(8-6-10)18(22)24/h4-8H,1,9H2,2-3H3,(H2,22,24)
InChIKeyTWWQOVZJXYGFGV-UHFFFAOYSA-N
XLogP2.68
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
CID 17424462
4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorobenzenesulfonate
CID 59554726
(4-carbamoylphenyl)methyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 26961474
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]benzamide
CID 27311006
4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]benzamide
CID 138497943
4-[(4-butylphenyl)methoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid
CID 144780773
3,5-dichloro-4-[(4-methylphenyl)methoxy]benzamide
CID 91682782
4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905
4-[(2-amino-2-ethylbutoxy)methyl]benzamide
CID 64571445
4-[(2-chloro-4-fluorophenoxy)methyl]benzamide
CID 27313029

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide?
The IUPAC name of 4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide (CID 155578559) is 4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide.
What is the SMILES notation for 4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide?
The canonical SMILES for 4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide is C=Cc1c(F)c(F)c(S(=O)(=O)N(C)C)c(OCc2ccc(C(N)=O)cc2)c1F.
What is the InChIKey of 4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide?
The InChIKey is TWWQOVZJXYGFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4S/c1-4-12-13(19)15(21)17(28(25,26)23(2)3)16(14(12)20)27-9-10-5-7-11(8-6-10)18(22)24/h4-8H,1,9H2,2-3H3,(H2,22,24).
What are the key properties of 4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide?
4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide has a molecular weight of 414.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide is sourced from PubChem (CID 155578559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).