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

C24H23FN2O5S — CID 44814828

IUPAC2-[[5-[[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESCc1cc(-c2ccc(S(=O)(=O)NC3CCCc4c(OCC(=O)O)cccc43)cn2)ccc1F
InChIInChI=1S/C24H23FN2O5S/c1-15-12-16(8-10-20(15)25)21-11-9-17(13-26-21)33(30,31)27-22-6-2-5-19-18(22)4-3-7-23(19)32-14-24(28)29/h3-4,7-13,22,27H,2,5-6,14H2,1H3,(H,28,29)
InChIKeyWJWPNTVMGZTIBU-UHFFFAOYSA-N
MW470.52 g/mol
LogP4.02
Rot. Bonds7

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

2-[[5-[[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (PubChem CID 44814828) has the molecular formula C24H23FN2O5S and a molecular weight of 470.52 g/mol. Its IUPAC name is 2-[[5-[[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-[[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
PubChem CID44814828
Molecular FormulaC24H23FN2O5S
Molecular Weight470.52 g/mol
Exact Mass470.13
IUPAC Name2-[[5-[[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESCc1cc(-c2ccc(S(=O)(=O)NC3CCCc4c(OCC(=O)O)cccc43)cn2)ccc1F
InChIInChI=1S/C24H23FN2O5S/c1-15-12-16(8-10-20(15)25)21-11-9-17(13-26-21)33(30,31)27-22-6-2-5-19-18(22)4-3-7-23(19)32-14-24(28)29/h3-4,7-13,22,27H,2,5-6,14H2,1H3,(H,28,29)
InChIKeyWJWPNTVMGZTIBU-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[5-[[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (CID 44814828) is 2-[[5-[[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-[[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[5-[[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is Cc1cc(-c2ccc(S(=O)(=O)NC3CCCc4c(OCC(=O)O)cccc43)cn2)ccc1F.
What is the InChIKey of 2-[[5-[[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The InChIKey is WJWPNTVMGZTIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5S/c1-15-12-16(8-10-20(15)25)21-11-9-17(13-26-21)33(30,31)27-22-6-2-5-19-18(22)4-3-7-23(19)32-14-24(28)29/h3-4,7-13,22,27H,2,5-6,14H2,1H3,(H,28,29).
What are the key properties of 2-[[5-[[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
2-[[5-[[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]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-[[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 44814828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).