2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid

C19H14FNO5S — CID 46204261

IUPAC2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid
SMILESNS(=O)(=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3ccc(F)cc23)cc1
InChIInChI=1S/C19H14FNO5S/c20-14-4-1-13-7-11(9-18(22)23)8-17(16(13)10-14)19(24)12-2-5-15(6-3-12)27(21,25)26/h1-8,10H,9H2,(H,22,23)(H2,21,25,26)
InChIKeyYEDVYKJVMOPEII-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.48
Rot. Bonds5

About 2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid

2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid (PubChem CID 46204261) has the molecular formula C19H14FNO5S and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid
PubChem CID46204261
Molecular FormulaC19H14FNO5S
Molecular Weight387.39 g/mol
Exact Mass387.06
IUPAC Name2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid
SMILESNS(=O)(=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3ccc(F)cc23)cc1
InChIInChI=1S/C19H14FNO5S/c20-14-4-1-13-7-11(9-18(22)23)8-17(16(13)10-14)19(24)12-2-5-15(6-3-12)27(21,25)26/h1-8,10H,9H2,(H,22,23)(H2,21,25,26)
InChIKeyYEDVYKJVMOPEII-UHFFFAOYSA-N
XLogP2.48
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-Sulfamoylphenyl)benzoyl]benzoic acid
CID 12938307
4-[[4-(4-Sulfamoylphenyl)phenyl]methyl]benzoic acid
CID 122194782
2-[[4-(4-Sulfamoylphenyl)phenyl]methyl]benzoic acid
CID 156011232
2-[4-(4-Sulfamoylphenyl)benzoyl]benzoic acid
CID 156013742
3-[4-(4-Sulfamoylphenyl)benzoyl]benzoic acid
CID 156017145
3-[[4-(4-Sulfamoylphenyl)phenyl]methyl]benzoic acid
CID 156021783
[4-(4-Diethylsulfamoyl-phenyl)-6-fluoro-3-methyl-naphthalen-2-yl]-acetic acid
CID 71711511
[6-Fluoro-4-(4-methansulfonyl-phenyl)-3-methyl-naphthalen-2-yl]-acetic acid
CID 71711573
2-[6-Fluoro-3-methyl-4-[4-(propan-2-ylsulfamoyl)phenyl]naphthalen-2-yl]acetic acid
CID 71711644
2-[6-Fluoro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid
CID 71711711
2-[6-Fluoro-3-methyl-4-[(4-methylsulfonylphenyl)methyl]naphthalen-2-yl]acetic acid
CID 46205853
3-[N-Acetylsulfamyl]-6-trifluoromethylphenanthrene-9-carboxylic acid
CID 632766

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid (CID 46204261) is 2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid is NS(=O)(=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3ccc(F)cc23)cc1.
What is the InChIKey of 2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid?
The InChIKey is YEDVYKJVMOPEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO5S/c20-14-4-1-13-7-11(9-18(22)23)8-17(16(13)10-14)19(24)12-2-5-15(6-3-12)27(21,25)26/h1-8,10H,9H2,(H,22,23)(H2,21,25,26).
What are the key properties of 2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid?
2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid has a molecular weight of 387.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-4-(4-sulfamoylbenzoyl)naphthalen-2-yl]acetic acid is sourced from PubChem (CID 46204261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).