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

C25H19Cl2NO4S — CID 71711382

IUPAC2-[6-chloro-4-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid
SMILESCc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C25H19Cl2NO4S/c1-15-18(12-24(29)30)11-17-5-8-20(27)14-23(17)25(15)16-6-9-22(10-7-16)33(31,32)28-21-4-2-3-19(26)13-21/h2-11,13-14,28H,12H2,1H3,(H,29,30)
InChIKeyOCYFULQWYCOSIT-UHFFFAOYSA-N
MW500.40 g/mol
LogP6.55
Rot. Bonds6

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

2-[6-chloro-4-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid (PubChem CID 71711382) has the molecular formula C25H19Cl2NO4S and a molecular weight of 500.40 g/mol. Its IUPAC name is 2-[6-chloro-4-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-4-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid
PubChem CID71711382
Molecular FormulaC25H19Cl2NO4S
Molecular Weight500.40 g/mol
Exact Mass499.04
IUPAC Name2-[6-chloro-4-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid
SMILESCc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C25H19Cl2NO4S/c1-15-18(12-24(29)30)11-17-5-8-20(27)14-23(17)25(15)16-6-9-22(10-7-16)33(31,32)28-21-4-2-3-19(26)13-21/h2-11,13-14,28H,12H2,1H3,(H,29,30)
InChIKeyOCYFULQWYCOSIT-UHFFFAOYSA-N
XLogP6.55
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.40
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[6-chloro-4-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid with MolForge

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Related Compounds

2-[6-Fluoro-3-methyl-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]naphthalen-2-yl]acetic acid
CID 71711443
{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-2-methyl-phenylsulfamoyl)-phenyl]-3-methyl-naphthalen-2-yl}-acetic acid
CID 71711383
[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
[4-(4-Benzenesulfonylamino-phenyl)-6-fluoro-3-methyl-naphthalen-2-yl]-acetic acid
CID 71711646
{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

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-chloro-4-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid (CID 71711382) is 2-[6-chloro-4-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-4-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-4-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid is Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[6-chloro-4-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid?
The InChIKey is OCYFULQWYCOSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2NO4S/c1-15-18(12-24(29)30)11-17-5-8-20(27)14-23(17)25(15)16-6-9-22(10-7-16)33(31,32)28-21-4-2-3-19(26)13-21/h2-11,13-14,28H,12H2,1H3,(H,29,30).
What are the key properties of 2-[6-chloro-4-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid?
2-[6-chloro-4-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid has a molecular weight of 500.40 g/mol, XLogP of 6.55, 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-chlorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetic acid is sourced from PubChem (CID 71711382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).