1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine

C24H23IN2O2S — CID 162406807

IUPAC1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine
SMILESCC1=CN(c2ccc(I)cc2)C(c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H23IN2O2S/c1-18-8-14-23(15-9-18)30(28,29)27-17-24(20-6-4-3-5-7-20)26(16-19(27)2)22-12-10-21(25)11-13-22/h3-16,24H,17H2,1-2H3
InChIKeyZSJSXPIGLJRDPW-UHFFFAOYSA-N
MW530.43 g/mol
LogP5.71
Rot. Bonds4

About 1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine

1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine (PubChem CID 162406807) has the molecular formula C24H23IN2O2S and a molecular weight of 530.43 g/mol. Its IUPAC name is 1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine.

Molecular Properties

Compound Name1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine
PubChem CID162406807
Molecular FormulaC24H23IN2O2S
Molecular Weight530.43 g/mol
Exact Mass530.05
IUPAC Name1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine
SMILESCC1=CN(c2ccc(I)cc2)C(c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H23IN2O2S/c1-18-8-14-23(15-9-18)30(28,29)27-17-24(20-6-4-3-5-7-20)26(16-19(27)2)22-12-10-21(25)11-13-22/h3-16,24H,17H2,1-2H3
InChIKeyZSJSXPIGLJRDPW-UHFFFAOYSA-N
XLogP5.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[5-methyl-4-(4-methylphenyl)sulfonyl-1-phenyl-2,3-dihydropyrazin-2-yl]phenyl] acetate
CID 162406802
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830
(4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992661
3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992751
(2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine
CID 162406799
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
4-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 54671505
(2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole
CID 12023220
(2S,3R,5S)-3-fluoro-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-ol
CID 132521078
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine?
The IUPAC name of 1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine (CID 162406807) is 1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine.
What is the SMILES notation for 1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine?
The canonical SMILES for 1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine is CC1=CN(c2ccc(I)cc2)C(c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine?
The InChIKey is ZSJSXPIGLJRDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23IN2O2S/c1-18-8-14-23(15-9-18)30(28,29)27-17-24(20-6-4-3-5-7-20)26(16-19(27)2)22-12-10-21(25)11-13-22/h3-16,24H,17H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine?
1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine has a molecular weight of 530.43 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine is sourced from PubChem (CID 162406807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).