2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid

C10H10F3NO5S — CID 29042656

IUPAC2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H10F3NO5S/c1-5-2-7(15)6(9(16)17)3-8(5)20(18,19)14-4-10(11,12)13/h2-3,14-15H,4H2,1H3,(H,16,17)
InChIKeyUFIOUSDLWFSCFK-UHFFFAOYSA-N
MW313.25 g/mol
LogP1.24
Rot. Bonds4

About 2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid

2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid (PubChem CID 29042656) has the molecular formula C10H10F3NO5S and a molecular weight of 313.25 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
PubChem CID29042656
Molecular FormulaC10H10F3NO5S
Molecular Weight313.25 g/mol
Exact Mass313.02
IUPAC Name2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H10F3NO5S/c1-5-2-7(15)6(9(16)17)3-8(5)20(18,19)14-4-10(11,12)13/h2-3,14-15H,4H2,1H3,(H,16,17)
InChIKeyUFIOUSDLWFSCFK-UHFFFAOYSA-N
XLogP1.24
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid (CID 29042656) is 2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid is Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid?
The InChIKey is UFIOUSDLWFSCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO5S/c1-5-2-7(15)6(9(16)17)3-8(5)20(18,19)14-4-10(11,12)13/h2-3,14-15H,4H2,1H3,(H,16,17).
What are the key properties of 2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid?
2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid has a molecular weight of 313.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid is sourced from PubChem (CID 29042656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).