2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

C24H23FN2O5S — CID 44816707

IUPAC2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESCc1cc(-c2ccc(S(=O)(=O)NC3CCCc4c(OCC(=O)O)cccc43)cc2)cnc1F
InChIInChI=1S/C24H23FN2O5S/c1-15-12-17(13-26-24(15)25)16-8-10-18(11-9-16)33(30,31)27-21-6-2-5-20-19(21)4-3-7-22(20)32-14-23(28)29/h3-4,7-13,21,27H,2,5-6,14H2,1H3,(H,28,29)
InChIKeyQGBBICQXEKECOW-UHFFFAOYSA-N
MW470.52 g/mol
LogP4.02
Rot. Bonds7

About 2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (PubChem CID 44816707) has the molecular formula C24H23FN2O5S and a molecular weight of 470.52 g/mol. Its IUPAC name is 2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
PubChem CID44816707
Molecular FormulaC24H23FN2O5S
Molecular Weight470.52 g/mol
Exact Mass470.13
IUPAC Name2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESCc1cc(-c2ccc(S(=O)(=O)NC3CCCc4c(OCC(=O)O)cccc43)cc2)cnc1F
InChIInChI=1S/C24H23FN2O5S/c1-15-12-17(13-26-24(15)25)16-8-10-18(11-9-16)33(30,31)27-21-6-2-5-20-19(21)4-3-7-22(20)32-14-23(28)29/h3-4,7-13,21,27H,2,5-6,14H2,1H3,(H,28,29)
InChIKeyQGBBICQXEKECOW-UHFFFAOYSA-N
XLogP4.02
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (CID 44816707) is 2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is Cc1cc(-c2ccc(S(=O)(=O)NC3CCCc4c(OCC(=O)O)cccc43)cc2)cnc1F.
What is the InChIKey of 2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The InChIKey is QGBBICQXEKECOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5S/c1-15-12-17(13-26-24(15)25)16-8-10-18(11-9-16)33(30,31)27-21-6-2-5-20-19(21)4-3-7-22(20)32-14-23(28)29/h3-4,7-13,21,27H,2,5-6,14H2,1H3,(H,28,29).
What are the key properties of 2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid has a molecular weight of 470.52 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 44816707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).