5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid

C15H12F3NO4S — CID 51113768

IUPAC5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(C(=O)O)c1
InChIInChI=1S/C15H12F3NO4S/c1-9-6-7-12(10(8-9)14(20)21)19-24(22,23)13-5-3-2-4-11(13)15(16,17)18/h2-8,19H,1H3,(H,20,21)
InChIKeyYCXHBEXTSHVWPG-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.51
Rot. Bonds4

About 5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid

5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid (PubChem CID 51113768) has the molecular formula C15H12F3NO4S and a molecular weight of 359.33 g/mol. Its IUPAC name is 5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
PubChem CID51113768
Molecular FormulaC15H12F3NO4S
Molecular Weight359.33 g/mol
Exact Mass359.04
IUPAC Name5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(C(=O)O)c1
InChIInChI=1S/C15H12F3NO4S/c1-9-6-7-12(10(8-9)14(20)21)19-24(22,23)13-5-3-2-4-11(13)15(16,17)18/h2-8,19H,1H3,(H,20,21)
InChIKeyYCXHBEXTSHVWPG-UHFFFAOYSA-N
XLogP3.51
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
2-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 12017862
N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 125467584
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 172801513
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid
CID 68691483
5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid
CID 51134356
2-[5-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pentyl]benzoic acid
CID 68691951
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843
N-(2,4-dichlorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 18289032

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid (CID 51113768) is 5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid is Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The InChIKey is YCXHBEXTSHVWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4S/c1-9-6-7-12(10(8-9)14(20)21)19-24(22,23)13-5-3-2-4-11(13)15(16,17)18/h2-8,19H,1H3,(H,20,21).
What are the key properties of 5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid has a molecular weight of 359.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 51113768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).