2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine

C24H23ClN2O3S — CID 102031751

IUPAC2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine
SMILESCCO[C@@H]1C[C@H](c2ccccc2)C=C(c2ccc(Cl)cc2)N1S(=O)(=O)c1ccccn1
InChIInChI=1S/C24H23ClN2O3S/c1-2-30-24-17-20(18-8-4-3-5-9-18)16-22(19-11-13-21(25)14-12-19)27(24)31(28,29)23-10-6-7-15-26-23/h3-16,20,24H,2,17H2,1H3/t20-,24-/m1/s1
InChIKeyFEXACHQFRXQGJE-HYBUGGRVSA-N
MW454.98 g/mol
LogP5.32
Rot. Bonds6

About 2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine

2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine (PubChem CID 102031751) has the molecular formula C24H23ClN2O3S and a molecular weight of 454.98 g/mol. Its IUPAC name is 2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine.

Molecular Properties

Compound Name2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine
PubChem CID102031751
Molecular FormulaC24H23ClN2O3S
Molecular Weight454.98 g/mol
Exact Mass454.11
IUPAC Name2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine
SMILESCCO[C@@H]1C[C@H](c2ccccc2)C=C(c2ccc(Cl)cc2)N1S(=O)(=O)c1ccccn1
InChIInChI=1S/C24H23ClN2O3S/c1-2-30-24-17-20(18-8-4-3-5-9-18)16-22(19-11-13-21(25)14-12-19)27(24)31(28,29)23-10-6-7-15-26-23/h3-16,20,24H,2,17H2,1H3/t20-,24-/m1/s1
InChIKeyFEXACHQFRXQGJE-HYBUGGRVSA-N
XLogP5.32
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.98
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine?
The IUPAC name of 2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine (CID 102031751) is 2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine.
What is the SMILES notation for 2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine?
The canonical SMILES for 2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine is CCO[C@@H]1C[C@H](c2ccccc2)C=C(c2ccc(Cl)cc2)N1S(=O)(=O)c1ccccn1.
What is the InChIKey of 2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine?
The InChIKey is FEXACHQFRXQGJE-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H23ClN2O3S/c1-2-30-24-17-20(18-8-4-3-5-9-18)16-22(19-11-13-21(25)14-12-19)27(24)31(28,29)23-10-6-7-15-26-23/h3-16,20,24H,2,17H2,1H3/t20-,24-/m1/s1.
What are the key properties of 2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine?
2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine has a molecular weight of 454.98 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,4S)-6-(4-chlorophenyl)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyridin-1-yl]sulfonyl]pyridine is sourced from PubChem (CID 102031751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).