4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine

C25H25NO2S — CID 25147239

IUPAC4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H25NO2S/c1-20-12-14-24(15-13-20)29(27,28)26-18-16-23(17-19-26)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15H,16-19H2,1H3
InChIKeyHZVPVNVZLGEGLT-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.28
Rot. Bonds4

About 4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine

4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 25147239) has the molecular formula C25H25NO2S and a molecular weight of 403.55 g/mol. Its IUPAC name is 4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID25147239
Molecular FormulaC25H25NO2S
Molecular Weight403.55 g/mol
Exact Mass403.16
IUPAC Name4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H25NO2S/c1-20-12-14-24(15-13-20)29(27,28)26-18-16-23(17-19-26)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15H,16-19H2,1H3
InChIKeyHZVPVNVZLGEGLT-UHFFFAOYSA-N
XLogP5.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine 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

4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
(NE)-N-[2-benzhydrylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]hydroxylamine
CID 139095900
1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine
CID 25147241
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
4-methyl-1-(4-methylphenyl)sulfonyl-2,3,6,7-tetrahydroazepine
CID 67224813
4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 44723360
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 1075998
[(1S,5R,6S,7R)-7-benzoyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-phenylmethanone
CID 11167059
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145

Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine (CID 25147239) is 4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is HZVPVNVZLGEGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2S/c1-20-12-14-24(15-13-20)29(27,28)26-18-16-23(17-19-26)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15H,16-19H2,1H3.
What are the key properties of 4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine?
4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 403.55 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 25147239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).