2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid

C25H19F2NO4S — CID 71711445

IUPAC2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid
SMILESCc1c(CC(=O)O)cc2ccc(F)cc2c1-c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C25H19F2NO4S/c1-15-18(13-24(29)30)12-17-2-5-20(27)14-23(17)25(15)16-3-10-22(11-4-16)33(31,32)28-21-8-6-19(26)7-9-21/h2-12,14,28H,13H2,1H3,(H,29,30)
InChIKeyYYEYOUOXCJMRKA-UHFFFAOYSA-N
MW467.49 g/mol
LogP5.52
Rot. Bonds6

About 2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid

2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid (PubChem CID 71711445) has the molecular formula C25H19F2NO4S and a molecular weight of 467.49 g/mol. Its IUPAC name is 2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid
PubChem CID71711445
Molecular FormulaC25H19F2NO4S
Molecular Weight467.49 g/mol
Exact Mass467.10
IUPAC Name2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid
SMILESCc1c(CC(=O)O)cc2ccc(F)cc2c1-c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C25H19F2NO4S/c1-15-18(13-24(29)30)12-17-2-5-20(27)14-23(17)25(15)16-3-10-22(11-4-16)33(31,32)28-21-8-6-19(26)7-9-21/h2-12,14,28H,13H2,1H3,(H,29,30)
InChIKeyYYEYOUOXCJMRKA-UHFFFAOYSA-N
XLogP5.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.49
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetate
CID 86695014
2-[4-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid
CID 71711645
2-[6-fluoro-3-methyl-4-[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]naphthalen-2-yl]acetic acid
CID 71712137
2-[6-fluoro-3-methyl-4-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]naphthalen-2-yl]acetic acid
CID 71712198
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate
CID 86695020
methyl 2-[6-fluoro-3-methyl-4-(4-piperidin-1-ylsulfonylphenyl)naphthalen-2-yl]acetate
CID 86695019
2-[4-(4-ethylsulfonylphenoxy)-6-fluoro-3-methylnaphthalen-2-yl]acetic acid
CID 46203582
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 132500915
methyl 2-[4-[4-(3,5-difluorophenyl)sulfanylphenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate
CID 86694974

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid (CID 71711445) is 2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid is Cc1c(CC(=O)O)cc2ccc(F)cc2c1-c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid?
The InChIKey is YYEYOUOXCJMRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2NO4S/c1-15-18(13-24(29)30)12-17-2-5-20(27)14-23(17)25(15)16-3-10-22(11-4-16)33(31,32)28-21-8-6-19(26)7-9-21/h2-12,14,28H,13H2,1H3,(H,29,30).
What are the key properties of 2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid?
2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid has a molecular weight of 467.49 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid is sourced from PubChem (CID 71711445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).