5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid

C15H9F4NO3S — CID 162644268

IUPAC5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccc(F)cc1C(=O)O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H9F4NO3S/c16-9-3-6-12(11(7-9)14(22)23)20-13(21)8-1-4-10(5-2-8)24-15(17,18)19/h1-7H,(H,20,21)(H,22,23)
InChIKeyTXHQTGQOMAPCND-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.39
Rot. Bonds4

About 5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid

5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid (PubChem CID 162644268) has the molecular formula C15H9F4NO3S and a molecular weight of 359.30 g/mol. Its IUPAC name is 5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid
PubChem CID162644268
Molecular FormulaC15H9F4NO3S
Molecular Weight359.30 g/mol
Exact Mass359.02
IUPAC Name5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccc(F)cc1C(=O)O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H9F4NO3S/c16-9-3-6-12(11(7-9)14(22)23)20-13(21)8-1-4-10(5-2-8)24-15(17,18)19/h1-7H,(H,20,21)(H,22,23)
InChIKeyTXHQTGQOMAPCND-UHFFFAOYSA-N
XLogP4.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid?
The IUPAC name of 5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid (CID 162644268) is 5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid is O=C(Nc1ccc(F)cc1C(=O)O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid?
The InChIKey is TXHQTGQOMAPCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NO3S/c16-9-3-6-12(11(7-9)14(22)23)20-13(21)8-1-4-10(5-2-8)24-15(17,18)19/h1-7H,(H,20,21)(H,22,23).
What are the key properties of 5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid?
5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid has a molecular weight of 359.30 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 162644268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).