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

C19H17Cl2NO4S — CID 16656088

IUPAC(2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCS(=O)(=O)N1[C@@H](c2cccc(Cl)c2)C(C(=O)O)=CC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2NO4S/c1-27(25,26)22-17(12-5-7-14(20)8-6-12)10-9-16(19(23)24)18(22)13-3-2-4-15(21)11-13/h2-9,11,17-18H,10H2,1H3,(H,23,24)/t17-,18-/m0/s1
InChIKeySEBNRSDJCFLQMT-ROUUACIJSA-N
MW426.32 g/mol
LogP4.45
Rot. Bonds4

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

(2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 16656088) has the molecular formula C19H17Cl2NO4S and a molecular weight of 426.32 g/mol. Its IUPAC name is (2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name(2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID16656088
Molecular FormulaC19H17Cl2NO4S
Molecular Weight426.32 g/mol
Exact Mass425.03
IUPAC Name(2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
SMILESCS(=O)(=O)N1[C@@H](c2cccc(Cl)c2)C(C(=O)O)=CC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2NO4S/c1-27(25,26)22-17(12-5-7-14(20)8-6-12)10-9-16(19(23)24)18(22)13-3-2-4-15(21)11-13/h2-9,11,17-18H,10H2,1H3,(H,23,24)/t17-,18-/m0/s1
InChIKeySEBNRSDJCFLQMT-ROUUACIJSA-N
XLogP4.45
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.32
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic 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 (2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of (2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 16656088) is (2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for (2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for (2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid is CS(=O)(=O)N1[C@@H](c2cccc(Cl)c2)C(C(=O)O)=CC[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is SEBNRSDJCFLQMT-ROUUACIJSA-N. The full InChI is InChI=1S/C19H17Cl2NO4S/c1-27(25,26)22-17(12-5-7-14(20)8-6-12)10-9-16(19(23)24)18(22)13-3-2-4-15(21)11-13/h2-9,11,17-18H,10H2,1H3,(H,23,24)/t17-,18-/m0/s1.
What are the key properties of (2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
(2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 426.32 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-(3-chlorophenyl)-2-(4-chlorophenyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 16656088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).