(2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid

C24H19Cl2NO4S — CID 25102599

IUPAC(2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESO=C(O)C1=CC[C@@H](c2ccc(Cl)cc2)N(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H19Cl2NO4S/c25-18-8-6-16(7-9-18)22-15-14-21(24(28)29)23(17-4-2-1-3-5-17)27(22)32(30,31)20-12-10-19(26)11-13-20/h1-14,22-23H,15H2,(H,28,29)/t22-,23-/m0/s1
InChIKeyJDLINDGDCNOYQB-GOTSBHOMSA-N
MW488.39 g/mol
LogP5.88
Rot. Bonds5

About (2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid

(2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 25102599) has the molecular formula C24H19Cl2NO4S and a molecular weight of 488.39 g/mol. Its IUPAC name is (2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name(2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID25102599
Molecular FormulaC24H19Cl2NO4S
Molecular Weight488.39 g/mol
Exact Mass487.04
IUPAC Name(2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESO=C(O)C1=CC[C@@H](c2ccc(Cl)cc2)N(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H19Cl2NO4S/c25-18-8-6-16(7-9-18)22-15-14-21(24(28)29)23(17-4-2-1-3-5-17)27(22)32(30,31)20-12-10-19(26)11-13-20/h1-14,22-23H,15H2,(H,28,29)/t22-,23-/m0/s1
InChIKeyJDLINDGDCNOYQB-GOTSBHOMSA-N
XLogP5.88
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.39
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of (2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 25102599) is (2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for (2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for (2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid is O=C(O)C1=CC[C@@H](c2ccc(Cl)cc2)N(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1.
What is the InChIKey of (2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is JDLINDGDCNOYQB-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H19Cl2NO4S/c25-18-8-6-16(7-9-18)22-15-14-21(24(28)29)23(17-4-2-1-3-5-17)27(22)32(30,31)20-12-10-19(26)11-13-20/h1-14,22-23H,15H2,(H,28,29)/t22-,23-/m0/s1.
What are the key properties of (2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
(2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 488.39 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 25102599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).