3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine

C29H27N3O2S — CID 11145301

IUPAC3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine
SMILESCc1ccc(S(=O)(=O)N2N=C(c3ccccc3)CC(c3ccccc3)N2Cc2ccccc2)cc1
InChIInChI=1S/C29H27N3O2S/c1-23-17-19-27(20-18-23)35(33,34)32-30-28(25-13-7-3-8-14-25)21-29(26-15-9-4-10-16-26)31(32)22-24-11-5-2-6-12-24/h2-20,29H,21-22H2,1H3
InChIKeyFKIJOIZVOSYSEA-UHFFFAOYSA-N
MW481.62 g/mol
LogP5.95
Rot. Bonds6

About 3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine

3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine (PubChem CID 11145301) has the molecular formula C29H27N3O2S and a molecular weight of 481.62 g/mol. Its IUPAC name is 3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine.

Molecular Properties

Compound Name3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine
PubChem CID11145301
Molecular FormulaC29H27N3O2S
Molecular Weight481.62 g/mol
Exact Mass481.18
IUPAC Name3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine
SMILESCc1ccc(S(=O)(=O)N2N=C(c3ccccc3)CC(c3ccccc3)N2Cc2ccccc2)cc1
InChIInChI=1S/C29H27N3O2S/c1-23-17-19-27(20-18-23)35(33,34)32-30-28(25-13-7-3-8-14-25)21-29(26-15-9-4-10-16-26)31(32)22-24-11-5-2-6-12-24/h2-20,29H,21-22H2,1H3
InChIKeyFKIJOIZVOSYSEA-UHFFFAOYSA-N
XLogP5.95
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine 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

5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
(3S)-2-(benzenesulfonyl)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazole
CID 7377538
2-(4-benzylpiperazin-1-yl)-1-[(3S)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 93228849
2-(4-benzylpiperazin-1-yl)-1-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 46030996
2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
CID 2953116
2-(4-benzylpiperazin-1-yl)-1-[(3S)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93230001
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(3R)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 1022183
2-[(3S)-2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100661057
4-[5-(4-ethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 166451571
2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 3703807
4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
CID 75025080

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine?
The IUPAC name of 3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine (CID 11145301) is 3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine.
What is the SMILES notation for 3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine?
The canonical SMILES for 3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine is Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)CC(c3ccccc3)N2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine?
The InChIKey is FKIJOIZVOSYSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2S/c1-23-17-19-27(20-18-23)35(33,34)32-30-28(25-13-7-3-8-14-25)21-29(26-15-9-4-10-16-26)31(32)22-24-11-5-2-6-12-24/h2-20,29H,21-22H2,1H3.
What are the key properties of 3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine?
3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine has a molecular weight of 481.62 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine is sourced from PubChem (CID 11145301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).