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

C19H19NO5S — CID 70032824

IUPAC1-(4-methoxyphenyl)sulfonyl-3-phenyl-3,6-dihydro-2H-pyridine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CC=CC(c3ccccc3)C2C(=O)O)cc1
InChIInChI=1S/C19H19NO5S/c1-25-15-9-11-16(12-10-15)26(23,24)20-13-5-8-17(18(20)19(21)22)14-6-3-2-4-7-14/h2-12,17-18H,13H2,1H3,(H,21,22)
InChIKeyDJGATARVJOFTPE-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.49
Rot. Bonds5

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

1-(4-methoxyphenyl)sulfonyl-3-phenyl-3,6-dihydro-2H-pyridine-2-carboxylic acid (PubChem CID 70032824) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3-phenyl-3,6-dihydro-2H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3-phenyl-3,6-dihydro-2H-pyridine-2-carboxylic acid
PubChem CID70032824
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3-phenyl-3,6-dihydro-2H-pyridine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CC=CC(c3ccccc3)C2C(=O)O)cc1
InChIInChI=1S/C19H19NO5S/c1-25-15-9-11-16(12-10-15)26(23,24)20-13-5-8-17(18(20)19(21)22)14-6-3-2-4-7-14/h2-12,17-18H,13H2,1H3,(H,21,22)
InChIKeyDJGATARVJOFTPE-UHFFFAOYSA-N
XLogP2.49
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(hydroxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepin-3-yl]carbamic acid
CID 18689643
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
4-benzyl-1-(4-methoxyphenyl)sulfonyl-1,4-diazepane-2-carboxylic acid
CID 22645039
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742444
1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422053
2-[1-(4-methoxyphenyl)sulfonyl-2-oxo-4-phenyl-3,4-dihydropyridin-3-yl]acetic acid
CID 69418588
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid
CID 161339036
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)-2,3,4,7-tetrahydroazepine-2-carboxamide
CID 139902260
4-[[3-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoic acid
CID 57422406
(3S,4S)-1-(4-methoxyphenyl)sulfonyl-3-(2-oxopropyl)-4-phenyl-3,4-dihydropyridin-2-one
CID 59445853
1-(4-cyclopropylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylic acid
CID 166258709
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-phenyl-3,6-dihydro-2H-pyridine-2-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-phenyl-3,6-dihydro-2H-pyridine-2-carboxylic acid (CID 70032824) is 1-(4-methoxyphenyl)sulfonyl-3-phenyl-3,6-dihydro-2H-pyridine-2-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3-phenyl-3,6-dihydro-2H-pyridine-2-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3-phenyl-3,6-dihydro-2H-pyridine-2-carboxylic acid is COc1ccc(S(=O)(=O)N2CC=CC(c3ccccc3)C2C(=O)O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3-phenyl-3,6-dihydro-2H-pyridine-2-carboxylic acid?
The InChIKey is DJGATARVJOFTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-25-15-9-11-16(12-10-15)26(23,24)20-13-5-8-17(18(20)19(21)22)14-6-3-2-4-7-14/h2-12,17-18H,13H2,1H3,(H,21,22).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3-phenyl-3,6-dihydro-2H-pyridine-2-carboxylic acid?
1-(4-methoxyphenyl)sulfonyl-3-phenyl-3,6-dihydro-2H-pyridine-2-carboxylic acid has a molecular weight of 373.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3-phenyl-3,6-dihydro-2H-pyridine-2-carboxylic acid is sourced from PubChem (CID 70032824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).