5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid

C15H12F3NO5S — CID 68850516

IUPAC5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid
SMILESCNS(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H12F3NO5S/c1-19-25(22,23)11-5-2-9(3-6-11)10-4-7-13(24-15(16,17)18)12(8-10)14(20)21/h2-8,19H,1H3,(H,20,21)
InChIKeyFRGOGLOGUBGQLH-UHFFFAOYSA-N
MW375.32 g/mol
LogP2.86
Rot. Bonds5

About 5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid

5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid (PubChem CID 68850516) has the molecular formula C15H12F3NO5S and a molecular weight of 375.32 g/mol. Its IUPAC name is 5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid.

Molecular Properties

Compound Name5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid
PubChem CID68850516
Molecular FormulaC15H12F3NO5S
Molecular Weight375.32 g/mol
Exact Mass375.04
IUPAC Name5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid
SMILESCNS(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H12F3NO5S/c1-19-25(22,23)11-5-2-9(3-6-11)10-4-7-13(24-15(16,17)18)12(8-10)14(20)21/h2-8,19H,1H3,(H,20,21)
InChIKeyFRGOGLOGUBGQLH-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid?
The IUPAC name of 5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid (CID 68850516) is 5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid.
What is the SMILES notation for 5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid?
The canonical SMILES for 5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid is CNS(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid?
The InChIKey is FRGOGLOGUBGQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO5S/c1-19-25(22,23)11-5-2-9(3-6-11)10-4-7-13(24-15(16,17)18)12(8-10)14(20)21/h2-8,19H,1H3,(H,20,21).
What are the key properties of 5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid?
5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid has a molecular weight of 375.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)benzoic acid is sourced from PubChem (CID 68850516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).