2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid

C23H16FNO4S — CID 164623522

IUPAC2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc(-c3ccccc3)c3ccccc23)ccc1F
InChIInChI=1S/C23H16FNO4S/c24-21-12-10-16(14-20(21)23(26)27)25-30(28,29)22-13-11-17(15-6-2-1-3-7-15)18-8-4-5-9-19(18)22/h1-14,25H,(H,26,27)
InChIKeyFILYSNGGEXLHEI-UHFFFAOYSA-N
MW421.45 g/mol
LogP5.14
Rot. Bonds5

About 2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid

2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid (PubChem CID 164623522) has the molecular formula C23H16FNO4S and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid
PubChem CID164623522
Molecular FormulaC23H16FNO4S
Molecular Weight421.45 g/mol
Exact Mass421.08
IUPAC Name2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc(-c3ccccc3)c3ccccc23)ccc1F
InChIInChI=1S/C23H16FNO4S/c24-21-12-10-16(14-20(21)23(26)27)25-30(28,29)22-13-11-17(15-6-2-1-3-7-15)18-8-4-5-9-19(18)22/h1-14,25H,(H,26,27)
InChIKeyFILYSNGGEXLHEI-UHFFFAOYSA-N
XLogP5.14
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.45
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid
CID 155532593
2-fluoro-5-[(4-pentoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 155532366
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
CID 60728615
1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid
CID 126480781
2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
CID 55895579
1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid
CID 126480790
2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 175169240
5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid
CID 100820577
3-fluoro-4-(phenylsulfamoyl)benzoic acid
CID 79040936
7-fluoro-N-(3-methyl-4-phenylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 166464347
3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 39824436
3-[(2-phenylphenyl)sulfonylamino]benzoic acid
CID 52565138

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid (CID 164623522) is 2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid is O=C(O)c1cc(NS(=O)(=O)c2ccc(-c3ccccc3)c3ccccc23)ccc1F.
What is the InChIKey of 2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid?
The InChIKey is FILYSNGGEXLHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO4S/c24-21-12-10-16(14-20(21)23(26)27)25-30(28,29)22-13-11-17(15-6-2-1-3-7-15)18-8-4-5-9-19(18)22/h1-14,25H,(H,26,27).
What are the key properties of 2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid?
2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid has a molecular weight of 421.45 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 164623522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).