ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate

C14H14ClNO5S — CID 59342383

IUPACethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)C=CN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO5S/c1-2-21-14(18)13-9-11(17)7-8-16(13)22(19,20)12-5-3-10(15)4-6-12/h3-8,13H,2,9H2,1H3
InChIKeyDCDJMVKZPFVUFL-UHFFFAOYSA-N
MW343.79 g/mol
LogP1.75
Rot. Bonds4

About ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate

ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate (PubChem CID 59342383) has the molecular formula C14H14ClNO5S and a molecular weight of 343.79 g/mol. Its IUPAC name is ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
PubChem CID59342383
Molecular FormulaC14H14ClNO5S
Molecular Weight343.79 g/mol
Exact Mass343.03
IUPAC Nameethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)C=CN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO5S/c1-2-21-14(18)13-9-11(17)7-8-16(13)22(19,20)12-5-3-10(15)4-6-12/h3-8,13H,2,9H2,1H3
InChIKeyDCDJMVKZPFVUFL-UHFFFAOYSA-N
XLogP1.75
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
CID 134918508
ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate
CID 59342392
2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-4-one
CID 11689079
[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methanol;[8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decan-7-yl]methyl N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;ethane-1,2-diol;ethyl 8-(4-chlorophenyl)sulfonyl-9-ethyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate;ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
CID 161275341
ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate
CID 58819942
ethyl (2S,3S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
CID 10544922
ethyl (6S)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate
CID 59342363
ethyl (6R)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-6-carboxylate
CID 59342366
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
ethyl (2S)-1-tert-butylsulfinyl-4-oxo-2,3-dihydropyridine-2-carboxylate
CID 101442910
ethyl (2R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 10470830
ethyl 2-(4-chlorophenyl)-3,4-dihydropyrazole-3-carboxylate
CID 70901273

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate (CID 59342383) is ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate is CCOC(=O)C1CC(=O)C=CN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
The InChIKey is DCDJMVKZPFVUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO5S/c1-2-21-14(18)13-9-11(17)7-8-16(13)22(19,20)12-5-3-10(15)4-6-12/h3-8,13H,2,9H2,1H3.
What are the key properties of ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate has a molecular weight of 343.79 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chlorophenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate is sourced from PubChem (CID 59342383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).