1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine

C21H23NO2S — CID 71483486

IUPAC1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine
SMILESC/C(=C\C1=CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccccc1
InChIInChI=1S/C21H23NO2S/c1-17-10-12-21(13-11-17)25(23,24)22-14-6-7-19(16-22)15-18(2)20-8-4-3-5-9-20/h3-5,7-13,15H,6,14,16H2,1-2H3/b18-15+
InChIKeyTXXNUCACCZUZRE-OBGWFSINSA-N
MW353.49 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine

1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine (PubChem CID 71483486) has the molecular formula C21H23NO2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine
PubChem CID71483486
Molecular FormulaC21H23NO2S
Molecular Weight353.49 g/mol
Exact Mass353.14
IUPAC Name1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine
SMILESC/C(=C\C1=CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccccc1
InChIInChI=1S/C21H23NO2S/c1-17-10-12-21(13-11-17)25(23,24)22-14-6-7-19(16-22)15-18(2)20-8-4-3-5-9-20/h3-5,7-13,15H,6,14,16H2,1-2H3/b18-15+
InChIKeyTXXNUCACCZUZRE-OBGWFSINSA-N
XLogP4.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2,2-bis(4-tert-butylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 71483484
4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 25147239
4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoic acid
CID 106313430
N-benzyl-4-methyl-N-[(Z)-5-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-4-phenylpent-4-en-2-ynyl]benzenesulfonamide
CID 101490263
4-methyl-1-(4-methylphenyl)sulfonyl-2,3,6,7-tetrahydroazepine
CID 67224813
6-[bis(4-fluorophenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3,7-dihydro-2H-azepine
CID 71483639
(3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol
CID 177395494
[(1S,5R,6S,7R)-7-benzoyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-phenylmethanone
CID 11167059
(2Z)-2-[4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]-2-phenylacetonitrile
CID 177431926
3,6-bis-(4-methylphenyl)sulfonyl-3,6,12-triazabicyclo[6.3.1]dodeca-1(12),8,10-triene
CID 15069694
N-[(Z)-[(4aR)-2-(4-methylphenyl)sulfonyl-1,3,4a,5,6,7-hexahydroisoquinolin-4-ylidene]-phenylmethyl]acetamide
CID 139092719
1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine
CID 25147241

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine (CID 71483486) is 1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine is C/C(=C\C1=CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccccc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine?
The InChIKey is TXXNUCACCZUZRE-OBGWFSINSA-N. The full InChI is InChI=1S/C21H23NO2S/c1-17-10-12-21(13-11-17)25(23,24)22-14-6-7-19(16-22)15-18(2)20-8-4-3-5-9-20/h3-5,7-13,15H,6,14,16H2,1-2H3/b18-15+.
What are the key properties of 1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine?
1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine has a molecular weight of 353.49 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylprop-1-enyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 71483486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).