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

C21H20ClNO5S — CID 71711575

IUPAC2-[6-chloro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid
SMILESCc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)NCCO)cc1
InChIInChI=1S/C21H20ClNO5S/c1-13-16(11-20(25)26)10-15-2-5-17(22)12-19(15)21(13)14-3-6-18(7-4-14)29(27,28)23-8-9-24/h2-7,10,12,23-24H,8-9,11H2,1H3,(H,25,26)
InChIKeyWATVBUYXYHXDRZ-UHFFFAOYSA-N
MW433.91 g/mol
LogP3.37
Rot. Bonds7

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

2-[6-chloro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid (PubChem CID 71711575) has the molecular formula C21H20ClNO5S and a molecular weight of 433.91 g/mol. Its IUPAC name is 2-[6-chloro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid
PubChem CID71711575
Molecular FormulaC21H20ClNO5S
Molecular Weight433.91 g/mol
Exact Mass433.08
IUPAC Name2-[6-chloro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid
SMILESCc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)NCCO)cc1
InChIInChI=1S/C21H20ClNO5S/c1-13-16(11-20(25)26)10-15-2-5-17(22)12-19(15)21(13)14-3-6-18(7-4-14)29(27,28)23-8-9-24/h2-7,10,12,23-24H,8-9,11H2,1H3,(H,25,26)
InChIKeyWATVBUYXYHXDRZ-UHFFFAOYSA-N
XLogP3.37
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{6-Chloro-3-methyl-4-[4-(pyrrolidine-1-sulfonyl)-phenyl]-naphthalen-2-yl}-acetic acid
CID 71680626
{6-Chloro-3-methyl-4-[4-(piperidine-1-sulfonyl)-phenyl]-naphthalen-2-yl}-acetic acid
CID 71711380
[6-Chloro-4-(4-diethylsulfamoyl-phenyl)-3-methyl-naphthalen-2-yl]-acetic acid
CID 71711381
2-[6-Chloro-4-[4-(cyclohexylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid
CID 71711327
[4-(4-Benzylsulfamoyl-phenyl)-6-chloro-3-methyl-naphthalen-2-yl]-acetic acid
CID 71711384
2-[6-Chloro-3-methyl-4-[4-(propan-2-ylsulfamoyl)phenyl]naphthalen-2-yl]acetic acid
CID 71711385
2-[6-Chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid
CID 71711572
2-[6-Fluoro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid
CID 71711711
2-[5-[[(4-Chlorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]acetic acid
CID 44214436
{4-[3-(2-Chloro-benzenesulfonylamino)-1-methylene-propyl]-6-fluoro-3-methyl-naphthalen-2-yl}-acetic acid
CID 71550896
{4-[3-(2-Chloro-benzenesulfonylamino)-1-methylene-propyl]-6-fluoro-3-methyl-naphthalen-2-yl}-acetic acid methyl ester
CID 86683828
{6-Fluoro-4-[4-(2-hydroxyethylsulfamoyl)-phenyl]-3-methyl-naphthalen-2-yl}-acetic acid methyl ester
CID 86695027

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-chloro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid (CID 71711575) is 2-[6-chloro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid is Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)NCCO)cc1.
What is the InChIKey of 2-[6-chloro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid?
The InChIKey is WATVBUYXYHXDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO5S/c1-13-16(11-20(25)26)10-15-2-5-17(22)12-19(15)21(13)14-3-6-18(7-4-14)29(27,28)23-8-9-24/h2-7,10,12,23-24H,8-9,11H2,1H3,(H,25,26).
What are the key properties of 2-[6-chloro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid?
2-[6-chloro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid has a molecular weight of 433.91 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid is sourced from PubChem (CID 71711575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).