4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid

C14H10F3NO5S — CID 18274848

IUPAC4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO5S/c15-14(16,17)23-11-3-1-2-4-12(11)24(21,22)18-10-7-5-9(6-8-10)13(19)20/h1-8,18H,(H,19,20)
InChIKeyODRRDMMYPQHAEL-UHFFFAOYSA-N
MW361.30 g/mol
LogP3.08
Rot. Bonds5

About 4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid

4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid (PubChem CID 18274848) has the molecular formula C14H10F3NO5S and a molecular weight of 361.30 g/mol. Its IUPAC name is 4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
PubChem CID18274848
Molecular FormulaC14H10F3NO5S
Molecular Weight361.30 g/mol
Exact Mass361.02
IUPAC Name4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO5S/c15-14(16,17)23-11-3-1-2-4-12(11)24(21,22)18-10-7-5-9(6-8-10)13(19)20/h1-8,18H,(H,19,20)
InChIKeyODRRDMMYPQHAEL-UHFFFAOYSA-N
XLogP3.08
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 3715374
2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 35185568
1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea
CID 25348337
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
4-[2-(trifluoromethoxy)anilino]benzoic acid
CID 62232189
methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3811980
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3841687
N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide
CID 20815752
4-[2-[4-[(2-fluorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689846
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 78836615
methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3481209
N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 112808737

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid (CID 18274848) is 4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of 4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid?
The InChIKey is ODRRDMMYPQHAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO5S/c15-14(16,17)23-11-3-1-2-4-12(11)24(21,22)18-10-7-5-9(6-8-10)13(19)20/h1-8,18H,(H,19,20).
What are the key properties of 4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid?
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid has a molecular weight of 361.30 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 18274848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).