2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid

C23H22ClNO5S — CID 71711572

IUPAC2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid
SMILESCc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H22ClNO5S/c1-15-18(13-22(26)27)12-17-2-5-19(24)14-21(17)23(15)16-3-6-20(7-4-16)31(28,29)25-8-10-30-11-9-25/h2-7,12,14H,8-11,13H2,1H3,(H,26,27)
InChIKeyNXKKMKFXDGFXEV-UHFFFAOYSA-N
MW459.95 g/mol
LogP4.12
Rot. Bonds5

About 2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid

2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid (PubChem CID 71711572) has the molecular formula C23H22ClNO5S and a molecular weight of 459.95 g/mol. Its IUPAC name is 2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid
PubChem CID71711572
Molecular FormulaC23H22ClNO5S
Molecular Weight459.95 g/mol
Exact Mass459.09
IUPAC Name2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid
SMILESCc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H22ClNO5S/c1-15-18(13-22(26)27)12-17-2-5-19(24)14-21(17)23(15)16-3-6-20(7-4-16)31(28,29)25-8-10-30-11-9-25/h2-7,12,14H,8-11,13H2,1H3,(H,26,27)
InChIKeyNXKKMKFXDGFXEV-UHFFFAOYSA-N
XLogP4.12
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.95
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-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
{4-[1-(2-Chloro-benzenesulfonyl)-piperidin-4-yl]-6-fluoro-naphthalen-2-yl}-acetic acid
CID 71572193
{4-[1-(3-Chloro-benzenesulfonyl)-piperidin-4-yl]-6-fluoro-naphthalen-2-yl}-acetic acid
CID 71604043
{4-[1-(4-Chloro-benzenesulfonyl)-piperidin-4-yl]-6-fluoro-naphthalen-2-yl}-acetic acid
CID 71604044
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
{6-Chloro-4-[4-(2-hydroxyethylsulfamoyl)-phenyl]-3-methyl-naphthalen-2-yl}-acetic acid
CID 71711575
{4-[1-(2-Chloro-benzenesulfonyl)-piperidin-4-yl]-6-fluoro-3-methyl-naphthalen-2-yl}-acetic acid
CID 71604112
{4-[1-(2-Chloro-benzenesulfonyl)-piperidin-4-yl]-6-fluoro-naphthalen-2-yl}-acetic acid methyl ester
CID 86686897

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid (CID 71711572) is 2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid is Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid?
The InChIKey is NXKKMKFXDGFXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO5S/c1-15-18(13-22(26)27)12-17-2-5-19(24)14-21(17)23(15)16-3-6-20(7-4-16)31(28,29)25-8-10-30-11-9-25/h2-7,12,14H,8-11,13H2,1H3,(H,26,27).
What are the key properties of 2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid?
2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid has a molecular weight of 459.95 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-methyl-4-(4-morpholin-4-ylsulfonylphenyl)naphthalen-2-yl]acetic acid is sourced from PubChem (CID 71711572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).