5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine

C27H27NO4S2 — CID 102187809

IUPAC5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccccc3)=C(/C=C/c3ccccc3)C(C)C2)cc1
InChIInChI=1S/C27H27NO4S2/c1-21-13-16-25(17-14-21)34(31,32)28-19-22(2)26(18-15-23-9-5-3-6-10-23)27(20-28)33(29,30)24-11-7-4-8-12-24/h3-18,22H,19-20H2,1-2H3/b18-15+
InChIKeyXDOQMXCRKJLLCV-OBGWFSINSA-N
MW493.65 g/mol
LogP5.08
Rot. Bonds6

About 5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine

5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine (PubChem CID 102187809) has the molecular formula C27H27NO4S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
PubChem CID102187809
Molecular FormulaC27H27NO4S2
Molecular Weight493.65 g/mol
Exact Mass493.14
IUPAC Name5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccccc3)=C(/C=C/c3ccccc3)C(C)C2)cc1
InChIInChI=1S/C27H27NO4S2/c1-21-13-16-25(17-14-21)34(31,32)28-19-22(2)26(18-15-23-9-5-3-6-10-23)27(20-28)33(29,30)24-11-7-4-8-12-24/h3-18,22H,19-20H2,1-2H3/b18-15+
InChIKeyXDOQMXCRKJLLCV-OBGWFSINSA-N
XLogP5.08
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-benzylidene-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 177418020
(3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 102470768
(2E)-2-[(4S)-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]-1,2-diphenylethanone
CID 155930859
(3Z)-3-(cyclopropylmethylidene)-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134847900
5-(benzenesulfonyl)-3-(bromomethyl)-1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 175408517
(3Z)-3-benzylidene-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 11209974
(3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 135001201
2-[(4Z)-4-benzylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]propan-2-ol
CID 101490249
(3R,5R)-3-chloro-1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylethenyl]piperidine
CID 51033124
[(4Z)-4-benzylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 177385222
2,3-dimethyl-4-(4-methylphenyl)sulfonyl-6-[(E)-2-phenylethenyl]morpholine
CID 175950133
(3Z)-3-benzylidene-1-(4-methylphenyl)sulfonyl-4-(2-methylprop-1-enyl)pyrrolidine
CID 54763073

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine (CID 102187809) is 5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine is Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccccc3)=C(/C=C/c3ccccc3)C(C)C2)cc1.
What is the InChIKey of 5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine?
The InChIKey is XDOQMXCRKJLLCV-OBGWFSINSA-N. The full InChI is InChI=1S/C27H27NO4S2/c1-21-13-16-25(17-14-21)34(31,32)28-19-22(2)26(18-15-23-9-5-3-6-10-23)27(20-28)33(29,30)24-11-7-4-8-12-24/h3-18,22H,19-20H2,1-2H3/b18-15+.
What are the key properties of 5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine?
5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine has a molecular weight of 493.65 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 102187809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).