2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid

C24H16F3NO5S — CID 15347466

IUPAC2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H16F3NO5S/c25-24(26,27)17-10-12-22(33-21-8-4-3-7-19(21)23(29)30)20(14-17)28-34(31,32)18-11-9-15-5-1-2-6-16(15)13-18/h1-14,28H,(H,29,30)
InChIKeyQPLUDJGCIRFXOR-UHFFFAOYSA-N
MW487.46 g/mol
LogP6.15
Rot. Bonds6

About 2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid

2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid (PubChem CID 15347466) has the molecular formula C24H16F3NO5S and a molecular weight of 487.46 g/mol. Its IUPAC name is 2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid
PubChem CID15347466
Molecular FormulaC24H16F3NO5S
Molecular Weight487.46 g/mol
Exact Mass487.07
IUPAC Name2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H16F3NO5S/c25-24(26,27)17-10-12-22(33-21-8-4-3-7-19(21)23(29)30)20(14-17)28-34(31,32)18-11-9-15-5-1-2-6-16(15)13-18/h1-14,28H,(H,29,30)
InChIKeyQPLUDJGCIRFXOR-UHFFFAOYSA-N
XLogP6.15
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.46
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-naphthalen-2-yloxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169373057
4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169370979
2-[2-[(4-bromophenyl)carbamoylamino]-4-(trifluoromethyl)phenoxy]benzoic acid
CID 15291672
2-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 578334
2-[2-(octylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoate
CID 152752820
5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid
CID 155342907
2-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-methylamino]-4-(trifluoromethyl)phenoxy]benzoic acid
CID 19430560
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
benzhydryl 2-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-(trifluoromethyl)phenoxy]-5-(2-methylbutan-2-yl)benzoate
CID 19430579
3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45478490
N-(5-hydroxy-2-methoxyphenyl)naphthalene-2-sulfonamide
CID 70792470
4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 2451680

Frequently Asked Questions

What is the IUPAC name of 2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid?
The IUPAC name of 2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid (CID 15347466) is 2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid.
What is the SMILES notation for 2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid?
The canonical SMILES for 2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid is O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid?
The InChIKey is QPLUDJGCIRFXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3NO5S/c25-24(26,27)17-10-12-22(33-21-8-4-3-7-19(21)23(29)30)20(14-17)28-34(31,32)18-11-9-15-5-1-2-6-16(15)13-18/h1-14,28H,(H,29,30).
What are the key properties of 2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid?
2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid has a molecular weight of 487.46 g/mol, XLogP of 6.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(naphthalen-2-ylsulfonylamino)-4-(trifluoromethyl)phenoxy]benzoic acid is sourced from PubChem (CID 15347466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).