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

C14H10F3NO4S — CID 697912

IUPAC2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO4S/c15-14(16,17)10-6-2-4-8-12(10)23(21,22)18-11-7-3-1-5-9(11)13(19)20/h1-8,18H,(H,19,20)
InChIKeyIKZDWAUXUYHKMZ-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.20
Rot. Bonds4

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

2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid (PubChem CID 697912) has the molecular formula C14H10F3NO4S and a molecular weight of 345.30 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
PubChem CID697912
Molecular FormulaC14H10F3NO4S
Molecular Weight345.30 g/mol
Exact Mass345.03
IUPAC Name2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO4S/c15-14(16,17)10-6-2-4-8-12(10)23(21,22)18-11-7-3-1-5-9(11)13(19)20/h1-8,18H,(H,19,20)
InChIKeyIKZDWAUXUYHKMZ-UHFFFAOYSA-N
XLogP3.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid (CID 697912) is 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid is O=C(O)c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
The InChIKey is IKZDWAUXUYHKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4S/c15-14(16,17)10-6-2-4-8-12(10)23(21,22)18-11-7-3-1-5-9(11)13(19)20/h1-8,18H,(H,19,20).
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid?
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid has a molecular weight of 345.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 697912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).