2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid

C26H21Cl2NO4S — CID 71711383

IUPAC2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2c(C)c(CC(=O)O)cc3ccc(Cl)cc23)cc1
InChIInChI=1S/C26H21Cl2NO4S/c1-15-19(13-25(30)31)12-18-6-9-20(27)14-22(18)26(15)17-7-10-21(11-8-17)34(32,33)29-24-5-3-4-23(28)16(24)2/h3-12,14,29H,13H2,1-2H3,(H,30,31)
InChIKeyQZUAMLZKQXLVCL-UHFFFAOYSA-N
MW514.43 g/mol
LogP6.86
Rot. Bonds6

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

2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid (PubChem CID 71711383) has the molecular formula C26H21Cl2NO4S and a molecular weight of 514.43 g/mol. Its IUPAC name is 2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid
PubChem CID71711383
Molecular FormulaC26H21Cl2NO4S
Molecular Weight514.43 g/mol
Exact Mass513.06
IUPAC Name2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2c(C)c(CC(=O)O)cc3ccc(Cl)cc23)cc1
InChIInChI=1S/C26H21Cl2NO4S/c1-15-19(13-25(30)31)12-18-6-9-20(27)14-22(18)26(15)17-7-10-21(11-8-17)34(32,33)29-24-5-3-4-23(28)16(24)2/h3-12,14,29H,13H2,1-2H3,(H,30,31)
InChIKeyQZUAMLZKQXLVCL-UHFFFAOYSA-N
XLogP6.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.43
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-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
[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
2-[6-Chloro-4-[4-(cyclohexylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid
CID 71711327
{6-Chloro-4-[4-(3-chloro-phenylsulfamoyl)-phenyl]-3-methyl-naphthalen-2-yl}-acetic acid
CID 71711382
[4-(4-Benzylsulfamoyl-phenyl)-6-chloro-3-methyl-naphthalen-2-yl]-acetic acid
CID 71711384
{4-[4-(3-Chloro-phenylsulfamoyl)-phenyl]-6-fluoro-3-methyl-naphthalen-2-yl}-acetic acid
CID 71711510
{6-Chloro-3-methyl-4-[4-(2-trifluoromethyl-benzenesulfonylamino)-phenyl]-naphthalen-2-yl}-acetic acid
CID 71711647
{6-Chloro-3-methyl-4-[4-(toluene-2-sulfonylamino)-phenyl]-naphthalen-2-yl}-acetic acid
CID 71711712
{6-Fluoro-4-[4-(4-fluoro-phenyl-sulfamoyl)-phenyl]-3-methyl-naphthalen-2-yl}-acetic acid
CID 71711445
{6-Chloro-4-[4-(4-fluoro-phenylsulfamoyl)-phenyl]-3-methyl-naphthalen-2-yl}-acetic acid methyl ester
CID 86695001
{4-[4-(3-Chloro-2-methyl-phenylsulfamoyl)-phenyl]-6-fluoro-3-methyl-naphthalen-2-yl}-acetic acid methyl ester
CID 86695016

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid (CID 71711383) is 2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2c(C)c(CC(=O)O)cc3ccc(Cl)cc23)cc1.
What is the InChIKey of 2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid?
The InChIKey is QZUAMLZKQXLVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2NO4S/c1-15-19(13-25(30)31)12-18-6-9-20(27)14-22(18)26(15)17-7-10-21(11-8-17)34(32,33)29-24-5-3-4-23(28)16(24)2/h3-12,14,29H,13H2,1-2H3,(H,30,31).
What are the key properties of 2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid?
2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid has a molecular weight of 514.43 g/mol, XLogP of 6.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid is sourced from PubChem (CID 71711383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).