4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid

C19H13F3N2O4S — CID 146545946

IUPAC4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H13F3N2O4S/c20-19(21,22)16-7-4-8-17(23-16)29(27,28)24-15-11-13(9-10-14(15)18(25)26)12-5-2-1-3-6-12/h1-11,24H,(H,25,26)
InChIKeyYZTVQSZISDEBMC-UHFFFAOYSA-N
MW422.38 g/mol
LogP4.27
Rot. Bonds5

About 4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid

4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid (PubChem CID 146545946) has the molecular formula C19H13F3N2O4S and a molecular weight of 422.38 g/mol. Its IUPAC name is 4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid
PubChem CID146545946
Molecular FormulaC19H13F3N2O4S
Molecular Weight422.38 g/mol
Exact Mass422.05
IUPAC Name4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H13F3N2O4S/c20-19(21,22)16-7-4-8-17(23-16)29(27,28)24-15-11-13(9-10-14(15)18(25)26)12-5-2-1-3-6-12/h1-11,24H,(H,25,26)
InChIKeyYZTVQSZISDEBMC-UHFFFAOYSA-N
XLogP4.27
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid?
The IUPAC name of 4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid (CID 146545946) is 4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid is O=C(O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid?
The InChIKey is YZTVQSZISDEBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O4S/c20-19(21,22)16-7-4-8-17(23-16)29(27,28)24-15-11-13(9-10-14(15)18(25)26)12-5-2-1-3-6-12/h1-11,24H,(H,25,26).
What are the key properties of 4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid?
4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid has a molecular weight of 422.38 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 146545946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).