2-hydroxy-4-methyl-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid

C11H12F3NO5S — CID 63225917

IUPAC2-hydroxy-4-methyl-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C11H12F3NO5S/c1-6-4-8(16)7(10(17)18)5-9(6)21(19,20)15-3-2-11(12,13)14/h4-5,15-16H,2-3H2,1H3,(H,17,18)
InChIKeyOZIORLDMJBTCRH-UHFFFAOYSA-N
MW327.28 g/mol
LogP1.63
Rot. Bonds5

About 2-hydroxy-4-methyl-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid

2-hydroxy-4-methyl-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid (PubChem CID 63225917) has the molecular formula C11H12F3NO5S and a molecular weight of 327.28 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methyl-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
PubChem CID63225917
Molecular FormulaC11H12F3NO5S
Molecular Weight327.28 g/mol
Exact Mass327.04
IUPAC Name2-hydroxy-4-methyl-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C11H12F3NO5S/c1-6-4-8(16)7(10(17)18)5-9(6)21(19,20)15-3-2-11(12,13)14/h4-5,15-16H,2-3H2,1H3,(H,17,18)
InChIKeyOZIORLDMJBTCRH-UHFFFAOYSA-N
XLogP1.63
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 51.63
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-(3,3,3-trifluoropropylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-methyl-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid (CID 63225917) is 2-hydroxy-4-methyl-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-methyl-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-methyl-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid is Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 2-hydroxy-4-methyl-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid?
The InChIKey is OZIORLDMJBTCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO5S/c1-6-4-8(16)7(10(17)18)5-9(6)21(19,20)15-3-2-11(12,13)14/h4-5,15-16H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-hydroxy-4-methyl-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid?
2-hydroxy-4-methyl-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid has a molecular weight of 327.28 g/mol, XLogP of 1.63, 5 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-(3,3,3-trifluoropropylsulfamoyl)benzoic acid is sourced from PubChem (CID 63225917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).