2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid

C26H22FNO4S — CID 71711443

IUPAC2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3c(C)c(CC(=O)O)cc4ccc(F)cc34)cc2)cc1
InChIInChI=1S/C26H22FNO4S/c1-16-3-9-22(10-4-16)28-33(31,32)23-11-6-18(7-12-23)26-17(2)20(14-25(29)30)13-19-5-8-21(27)15-24(19)26/h3-13,15,28H,14H2,1-2H3,(H,29,30)
InChIKeyHQJFZYQXRRPYBC-UHFFFAOYSA-N
MW463.53 g/mol
LogP5.69
Rot. Bonds6

About 2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid

2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid (PubChem CID 71711443) has the molecular formula C26H22FNO4S and a molecular weight of 463.53 g/mol. Its IUPAC name is 2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid
PubChem CID71711443
Molecular FormulaC26H22FNO4S
Molecular Weight463.53 g/mol
Exact Mass463.13
IUPAC Name2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3c(C)c(CC(=O)O)cc4ccc(F)cc34)cc2)cc1
InChIInChI=1S/C26H22FNO4S/c1-16-3-9-22(10-4-16)28-33(31,32)23-11-6-18(7-12-23)26-17(2)20(14-25(29)30)13-19-5-8-21(27)15-24(19)26/h3-13,15,28H,14H2,1-2H3,(H,29,30)
InChIKeyHQJFZYQXRRPYBC-UHFFFAOYSA-N
XLogP5.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid with MolForge

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Related Compounds

{4-[4-(3-Chloro-2-methyl-phenylsulfamoyl)-phenyl]-6-fluoro-3-methyl-naphthalen-2-yl}-acetic acid
CID 71711507
2-[4-[4-(Benzylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid
CID 71711577
{4-[4-(3,5-Bis-trifluoromethyl-benzenesulfonylamino)-phenyl]-6-fluoro-3-methyl-naphthalen-2-yl}-acetic acid
CID 71711645
4-(4-Methylnaphthalen-1-yl)-2-[(4-pentylphenyl)sulfonylamino]benzoic acid
CID 76336347
2-[[4-(3-Methylbut-1-en-2-yl)phenyl]sulfonylamino]-4-(4-methylnaphthalen-1-yl)benzoic acid
CID 168290597
2-[4-(Naphthalene-2-sulfonamido)phenyl]acetic acid
CID 2412067
[6-Chloro-3-methyl-4-(4-p-tolylsulfamoyl-phenyl)-naphthalen-2-yl]-acetic acid
CID 71711261
{6-Chloro-4-[4-(4-fluoro-phenylsulfamoyl)-phenyl]-3-methyl-naphthalen-2-yl}-acetic acid
CID 71711262
{6-Chloro-4-[4-(3-chloro-phenylsulfamoyl)-phenyl]-3-methyl-naphthalen-2-yl}-acetic acid
CID 71711382
{4-[4-(3-Chloro-phenylsulfamoyl)-phenyl]-6-fluoro-3-methyl-naphthalen-2-yl}-acetic acid
CID 71711510
[4-(4-Cyclohexylsulfamoyl-phenyl)-6-fluoro-3-methyl-naphthalen-2-yl]-acetic acid
CID 71711512
[4-(4-Benzenesulfonylamino-phenyl)-6-fluoro-3-methyl-naphthalen-2-yl]-acetic acid
CID 71711646

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid (CID 71711443) is 2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid is Cc1ccc(NS(=O)(=O)c2ccc(-c3c(C)c(CC(=O)O)cc4ccc(F)cc34)cc2)cc1.
What is the InChIKey of 2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid?
The InChIKey is HQJFZYQXRRPYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FNO4S/c1-16-3-9-22(10-4-16)28-33(31,32)23-11-6-18(7-12-23)26-17(2)20(14-25(29)30)13-19-5-8-21(27)15-24(19)26/h3-13,15,28H,14H2,1-2H3,(H,29,30).
What are the key properties of 2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid?
2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid has a molecular weight of 463.53 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid is sourced from PubChem (CID 71711443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).