diethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate

C24H26ClNO6S — CID 42601246

IUPACdiethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate
SMILESCCOC(=O)C1=CC[C@@H](c2ccccc2Cl)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)OCC
InChIInChI=1S/C24H26ClNO6S/c1-4-31-23(27)19-14-15-21(18-8-6-7-9-20(18)25)26(22(19)24(28)32-5-2)33(29,30)17-12-10-16(3)11-13-17/h6-14,21-22H,4-5,15H2,1-3H3/t21-,22+/m0/s1
InChIKeyBNIKAOKYPAYVNN-FCHUYYIVSA-N
MW491.99 g/mol
LogP4.21
Rot. Bonds7

About diethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate

diethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate (PubChem CID 42601246) has the molecular formula C24H26ClNO6S and a molecular weight of 491.99 g/mol. Its IUPAC name is diethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate.

Molecular Properties

Compound Namediethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate
PubChem CID42601246
Molecular FormulaC24H26ClNO6S
Molecular Weight491.99 g/mol
Exact Mass491.12
IUPAC Namediethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate
SMILESCCOC(=O)C1=CC[C@@H](c2ccccc2Cl)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)OCC
InChIInChI=1S/C24H26ClNO6S/c1-4-31-23(27)19-14-15-21(18-8-6-7-9-20(18)25)26(22(19)24(28)32-5-2)33(29,30)17-12-10-16(3)11-13-17/h6-14,21-22H,4-5,15H2,1-3H3/t21-,22+/m0/s1
InChIKeyBNIKAOKYPAYVNN-FCHUYYIVSA-N
XLogP4.21
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.99
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze diethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate 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 diethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate?
The IUPAC name of diethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate (CID 42601246) is diethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate.
What is the SMILES notation for diethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate?
The canonical SMILES for diethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate is CCOC(=O)C1=CC[C@@H](c2ccccc2Cl)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)OCC.
What is the InChIKey of diethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate?
The InChIKey is BNIKAOKYPAYVNN-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H26ClNO6S/c1-4-31-23(27)19-14-15-21(18-8-6-7-9-20(18)25)26(22(19)24(28)32-5-2)33(29,30)17-12-10-16(3)11-13-17/h6-14,21-22H,4-5,15H2,1-3H3/t21-,22+/m0/s1.
What are the key properties of diethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate?
diethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate has a molecular weight of 491.99 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2S,6R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5,6-dicarboxylate is sourced from PubChem (CID 42601246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).