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

C23H19BrClFN2O6S — CID 44815646

IUPAC2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCCC2NS(=O)(=O)c1cnc(Oc2ccc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C23H19BrClFN2O6S/c24-17-10-14(11-27-23(17)34-21-8-7-13(26)9-18(21)25)35(31,32)28-19-5-1-4-16-15(19)3-2-6-20(16)33-12-22(29)30/h2-3,6-11,19,28H,1,4-5,12H2,(H,29,30)
InChIKeyCGDNZCRFNUIQDC-UHFFFAOYSA-N
MW585.84 g/mol
LogP5.25
Rot. Bonds8

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

2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (PubChem CID 44815646) has the molecular formula C23H19BrClFN2O6S and a molecular weight of 585.84 g/mol. Its IUPAC name is 2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
PubChem CID44815646
Molecular FormulaC23H19BrClFN2O6S
Molecular Weight585.84 g/mol
Exact Mass583.98
IUPAC Name2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCCC2NS(=O)(=O)c1cnc(Oc2ccc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C23H19BrClFN2O6S/c24-17-10-14(11-27-23(17)34-21-8-7-13(26)9-18(21)25)35(31,32)28-19-5-1-4-16-15(19)3-2-6-20(16)33-12-22(29)30/h2-3,6-11,19,28H,1,4-5,12H2,(H,29,30)
InChIKeyCGDNZCRFNUIQDC-UHFFFAOYSA-N
XLogP5.25
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.84
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (CID 44815646) is 2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is O=C(O)COc1cccc2c1CCCC2NS(=O)(=O)c1cnc(Oc2ccc(F)cc2Cl)c(Br)c1.
What is the InChIKey of 2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The InChIKey is CGDNZCRFNUIQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrClFN2O6S/c24-17-10-14(11-27-23(17)34-21-8-7-13(26)9-18(21)25)35(31,32)28-19-5-1-4-16-15(19)3-2-6-20(16)33-12-22(29)30/h2-3,6-11,19,28H,1,4-5,12H2,(H,29,30).
What are the key properties of 2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid has a molecular weight of 585.84 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[5-bromo-6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 44815646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).