1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene

C21H18O2STe — CID 10671713

IUPAC1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C(\[Te]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18O2STe/c1-17-12-14-19(15-13-17)24(22,23)16-21(18-8-4-2-5-9-18)25-20-10-6-3-7-11-20/h2-16H,1H3/b21-16-
InChIKeyALLAGKKIGQAEGU-PGMHBOJBSA-N
MW462.04 g/mol
LogP3.80
Rot. Bonds5

About 1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene

1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene (PubChem CID 10671713) has the molecular formula C21H18O2STe and a molecular weight of 462.04 g/mol. Its IUPAC name is 1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene
PubChem CID10671713
Molecular FormulaC21H18O2STe
Molecular Weight462.04 g/mol
Exact Mass464.01
IUPAC Name1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C(\[Te]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18O2STe/c1-17-12-14-19(15-13-17)24(22,23)16-21(18-8-4-2-5-9-18)25-20-10-6-3-7-11-20/h2-16H,1H3/b21-16-
InChIKeyALLAGKKIGQAEGU-PGMHBOJBSA-N
XLogP3.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.04
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
CID 102129637
(E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine
CID 24972823
[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
[(Z)-2-phenyltellanylhex-1-enyl]sulfonylbenzene
CID 11373724
1-(2,2-dichloroethenylsulfonyl)-4-methylbenzene
CID 586997
(1Z,3E)-1-(4-methylphenyl)sulfonyl-4-phenylbuta-1,3-dien-2-olate
CID 134098337
2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole
CID 101497449
[1-benzamido-2-(4-methylphenyl)sulfonylethenyl]-triphenylphosphanium
CID 3282028
3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine
CID 141461205
1-methyl-4-(2-methylbuta-1,3-dienylsulfonyl)benzene
CID 85299579
2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol
CID 14296310
(E)-1-(benzenesulfonyl)prop-1-en-2-ol
CID 118410381

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene?
The IUPAC name of 1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene (CID 10671713) is 1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene?
The canonical SMILES for 1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene is Cc1ccc(S(=O)(=O)/C=C(\[Te]c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene?
The InChIKey is ALLAGKKIGQAEGU-PGMHBOJBSA-N. The full InChI is InChI=1S/C21H18O2STe/c1-17-12-14-19(15-13-17)24(22,23)16-21(18-8-4-2-5-9-18)25-20-10-6-3-7-11-20/h2-16H,1H3/b21-16-.
What are the key properties of 1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene?
1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene has a molecular weight of 462.04 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene is sourced from PubChem (CID 10671713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).