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

C18H15Cl2NO4S — CID 25102612

IUPAC(2S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-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)C1
InChIInChI=1S/C18H15Cl2NO4S/c19-14-4-1-12(2-5-14)17-10-3-13(18(22)23)11-21(17)26(24,25)16-8-6-15(20)7-9-16/h1-9,17H,10-11H2,(H,22,23)/t17-/m0/s1
InChIKeyIYRQIDGPPLKOHA-KRWDZBQOSA-N
MW412.29 g/mol
LogP4.14
Rot. Bonds4

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

(2S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 25102612) has the molecular formula C18H15Cl2NO4S and a molecular weight of 412.29 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
PubChem CID25102612
Molecular FormulaC18H15Cl2NO4S
Molecular Weight412.29 g/mol
Exact Mass411.01
IUPAC Name(2S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-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)C1
InChIInChI=1S/C18H15Cl2NO4S/c19-14-4-1-12(2-5-14)17-10-3-13(18(22)23)11-21(17)26(24,25)16-8-6-15(20)7-9-16/h1-9,17H,10-11H2,(H,22,23)/t17-/m0/s1
InChIKeyIYRQIDGPPLKOHA-KRWDZBQOSA-N
XLogP4.14
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The IUPAC name of (2S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 25102612) is (2S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-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)C1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
The InChIKey is IYRQIDGPPLKOHA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H15Cl2NO4S/c19-14-4-1-12(2-5-14)17-10-3-13(18(22)23)11-21(17)26(24,25)16-8-6-15(20)7-9-16/h1-9,17H,10-11H2,(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid?
(2S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 412.29 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 25102612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).