5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide

C15H13F3N2O4S — CID 155343062

IUPAC5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
SMILESCNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(C(N)=O)c1
InChIInChI=1S/C15H13F3N2O4S/c1-20-25(22,23)11-5-6-13(12(8-11)14(19)21)24-10-4-2-3-9(7-10)15(16,17)18/h2-8,20H,1H3,(H2,19,21)
InChIKeyYJZBBUWMEDMMNT-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.50
Rot. Bonds5

About 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide

5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide (PubChem CID 155343062) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound Name5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
PubChem CID155343062
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Name5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
SMILESCNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(C(N)=O)c1
InChIInChI=1S/C15H13F3N2O4S/c1-20-25(22,23)11-5-6-13(12(8-11)14(19)21)24-10-4-2-3-9(7-10)15(16,17)18/h2-8,20H,1H3,(H2,19,21)
InChIKeyYJZBBUWMEDMMNT-UHFFFAOYSA-N
XLogP2.50
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid
CID 155342907
N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 155342852
ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
[3-(trifluoromethyl)phenyl] 4-methylbenzenesulfonate
CID 11243986
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
2-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049380
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
3-acetyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide;methyl 3-(2-methyltetrazol-5-yl)-4-(2-phenylethyl)benzoate;5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
CID 158704833
2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid
CID 63512626
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide
CID 156538666

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide (CID 155343062) is 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide is CNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(C(N)=O)c1.
What is the InChIKey of 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is YJZBBUWMEDMMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-20-25(22,23)11-5-6-13(12(8-11)14(19)21)24-10-4-2-3-9(7-10)15(16,17)18/h2-8,20H,1H3,(H2,19,21).
What are the key properties of 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide?
5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 374.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 155343062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).