5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid

C15H12F3NO5S — CID 155342907

IUPAC5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid
SMILESCNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(C(=O)O)c1
InChIInChI=1S/C15H12F3NO5S/c1-19-25(22,23)11-5-6-13(12(8-11)14(20)21)24-10-4-2-3-9(7-10)15(16,17)18/h2-8,19H,1H3,(H,20,21)
InChIKeyWLLBSGLKBSYNSH-UHFFFAOYSA-N
MW375.32 g/mol
LogP3.10
Rot. Bonds5

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

5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid (PubChem CID 155342907) has the molecular formula C15H12F3NO5S and a molecular weight of 375.32 g/mol. Its IUPAC name is 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid
PubChem CID155342907
Molecular FormulaC15H12F3NO5S
Molecular Weight375.32 g/mol
Exact Mass375.04
IUPAC Name5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid
SMILESCNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(C(=O)O)c1
InChIInChI=1S/C15H12F3NO5S/c1-19-25(22,23)11-5-6-13(12(8-11)14(20)21)24-10-4-2-3-9(7-10)15(16,17)18/h2-8,19H,1H3,(H,20,21)
InChIKeyWLLBSGLKBSYNSH-UHFFFAOYSA-N
XLogP3.10
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
CID 155343062
2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid
CID 63512626
N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 155342852
ethane;5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzoic acid
CID 177315572
2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid
CID 15347466
[3-(trifluoromethyl)phenyl] 4-methylbenzenesulfonate
CID 11243986
ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 60987032
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
5-methoxy-3-methyl-2-[3-(trifluoromethyl)phenoxy]benzoic acid
CID 67832312
3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide
CID 156538666
N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 52838841

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid?
The IUPAC name of 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid (CID 155342907) is 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid.
What is the SMILES notation for 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid?
The canonical SMILES for 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid is CNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c(C(=O)O)c1.
What is the InChIKey of 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid?
The InChIKey is WLLBSGLKBSYNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO5S/c1-19-25(22,23)11-5-6-13(12(8-11)14(20)21)24-10-4-2-3-9(7-10)15(16,17)18/h2-8,19H,1H3,(H,20,21).
What are the key properties of 5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid?
5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid has a molecular weight of 375.32 g/mol, XLogP of 3.10, 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]benzoic acid is sourced from PubChem (CID 155342907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).