2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid

C20H16Cl2N2O5S — CID 156767951

IUPAC2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid
SMILESCc1cncc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2-c2ccc(OCC(=O)O)cc2)c1
InChIInChI=1S/C20H16Cl2N2O5S/c1-12-6-16(10-23-9-12)30(27,28)24-20-17(7-14(21)8-18(20)22)13-2-4-15(5-3-13)29-11-19(25)26/h2-10,24H,11H2,1H3,(H,25,26)
InChIKeyOQLNPXDUEBKJSL-UHFFFAOYSA-N
MW467.33 g/mol
LogP4.63
Rot. Bonds7

About 2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid

2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid (PubChem CID 156767951) has the molecular formula C20H16Cl2N2O5S and a molecular weight of 467.33 g/mol. Its IUPAC name is 2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid
PubChem CID156767951
Molecular FormulaC20H16Cl2N2O5S
Molecular Weight467.33 g/mol
Exact Mass466.02
IUPAC Name2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid
SMILESCc1cncc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2-c2ccc(OCC(=O)O)cc2)c1
InChIInChI=1S/C20H16Cl2N2O5S/c1-12-6-16(10-23-9-12)30(27,28)24-20-17(7-14(21)8-18(20)22)13-2-4-15(5-3-13)29-11-19(25)26/h2-10,24H,11H2,1H3,(H,25,26)
InChIKeyOQLNPXDUEBKJSL-UHFFFAOYSA-N
XLogP4.63
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid
CID 82039313
ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate
CID 156767952
2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 169440658
2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid
CID 39827198
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid
CID 66680223
3,5-dichloro-2-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
CID 3288762
N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3918848
2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid
CID 56808465
2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 56812215
2-(benzenesulfonamido)-3,5-dichlorobenzoic acid
CID 43235236
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid (CID 156767951) is 2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid is Cc1cncc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2-c2ccc(OCC(=O)O)cc2)c1.
What is the InChIKey of 2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid?
The InChIKey is OQLNPXDUEBKJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O5S/c1-12-6-16(10-23-9-12)30(27,28)24-20-17(7-14(21)8-18(20)22)13-2-4-15(5-3-13)29-11-19(25)26/h2-10,24H,11H2,1H3,(H,25,26).
What are the key properties of 2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid?
2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid has a molecular weight of 467.33 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid is sourced from PubChem (CID 156767951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).