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

C24H23FN2O6S — CID 44814824

IUPAC2-[[5-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESCOc1ccc(F)cc1-c1ccc(S(=O)(=O)NC2CCCc3c(OCC(=O)O)cccc32)cn1
InChIInChI=1S/C24H23FN2O6S/c1-32-22-11-8-15(25)12-19(22)20-10-9-16(13-26-20)34(30,31)27-21-6-2-5-18-17(21)4-3-7-23(18)33-14-24(28)29/h3-4,7-13,21,27H,2,5-6,14H2,1H3,(H,28,29)
InChIKeyYWCBMSVSLYAOBH-UHFFFAOYSA-N
MW486.52 g/mol
LogP3.72
Rot. Bonds8

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

2-[[5-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (PubChem CID 44814824) has the molecular formula C24H23FN2O6S and a molecular weight of 486.52 g/mol. Its IUPAC name is 2-[[5-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
PubChem CID44814824
Molecular FormulaC24H23FN2O6S
Molecular Weight486.52 g/mol
Exact Mass486.13
IUPAC Name2-[[5-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESCOc1ccc(F)cc1-c1ccc(S(=O)(=O)NC2CCCc3c(OCC(=O)O)cccc32)cn1
InChIInChI=1S/C24H23FN2O6S/c1-32-22-11-8-15(25)12-19(22)20-10-9-16(13-26-20)34(30,31)27-21-6-2-5-18-17(21)4-3-7-23(18)33-14-24(28)29/h3-4,7-13,21,27H,2,5-6,14H2,1H3,(H,28,29)
InChIKeyYWCBMSVSLYAOBH-UHFFFAOYSA-N
XLogP3.72
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[5-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (CID 44814824) is 2-[[5-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[5-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is COc1ccc(F)cc1-c1ccc(S(=O)(=O)NC2CCCc3c(OCC(=O)O)cccc32)cn1.
What is the InChIKey of 2-[[5-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The InChIKey is YWCBMSVSLYAOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O6S/c1-32-22-11-8-15(25)12-19(22)20-10-9-16(13-26-20)34(30,31)27-21-6-2-5-18-17(21)4-3-7-23(18)33-14-24(28)29/h3-4,7-13,21,27H,2,5-6,14H2,1H3,(H,28,29).
What are the key properties of 2-[[5-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
2-[[5-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid has a molecular weight of 486.52 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 44814824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).