9-methyl-10-(4-methylphenyl)sulfonylanthracene

C22H18O2S — CID 163541913

IUPAC9-methyl-10-(4-methylphenyl)sulfonylanthracene
SMILESCc1ccc(S(=O)(=O)c2c3ccccc3c(C)c3ccccc23)cc1
InChIInChI=1S/C22H18O2S/c1-15-11-13-17(14-12-15)25(23,24)22-20-9-5-3-7-18(20)16(2)19-8-4-6-10-21(19)22/h3-14H,1-2H3
InChIKeyFBVIJHSTNLKQDT-UHFFFAOYSA-N
MW346.45 g/mol
LogP5.44
Rot. Bonds2

About 9-methyl-10-(4-methylphenyl)sulfonylanthracene

9-methyl-10-(4-methylphenyl)sulfonylanthracene (PubChem CID 163541913) has the molecular formula C22H18O2S and a molecular weight of 346.45 g/mol. Its IUPAC name is 9-methyl-10-(4-methylphenyl)sulfonylanthracene.

Molecular Properties

Compound Name9-methyl-10-(4-methylphenyl)sulfonylanthracene
PubChem CID163541913
Molecular FormulaC22H18O2S
Molecular Weight346.45 g/mol
Exact Mass346.10
IUPAC Name9-methyl-10-(4-methylphenyl)sulfonylanthracene
SMILESCc1ccc(S(=O)(=O)c2c3ccccc3c(C)c3ccccc23)cc1
InChIInChI=1S/C22H18O2S/c1-15-11-13-17(14-12-15)25(23,24)22-20-9-5-3-7-18(20)16(2)19-8-4-6-10-21(19)22/h3-14H,1-2H3
InChIKeyFBVIJHSTNLKQDT-UHFFFAOYSA-N
XLogP5.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-methyl-10-(4-methylphenyl)sulfonylanthracene 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

1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1,2,3-tris-(4-methylphenyl)sulfonylbenzene
CID 18699518
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
9-methyl-10-(4-methylnaphthalen-1-yl)sulfonylanthracene
CID 163837804
1-methyl-4-(4-methylphenyl)sulfonylnaphthalene
CID 71080006
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934

Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-(4-methylphenyl)sulfonylanthracene?
The IUPAC name of 9-methyl-10-(4-methylphenyl)sulfonylanthracene (CID 163541913) is 9-methyl-10-(4-methylphenyl)sulfonylanthracene.
What is the SMILES notation for 9-methyl-10-(4-methylphenyl)sulfonylanthracene?
The canonical SMILES for 9-methyl-10-(4-methylphenyl)sulfonylanthracene is Cc1ccc(S(=O)(=O)c2c3ccccc3c(C)c3ccccc23)cc1.
What is the InChIKey of 9-methyl-10-(4-methylphenyl)sulfonylanthracene?
The InChIKey is FBVIJHSTNLKQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2S/c1-15-11-13-17(14-12-15)25(23,24)22-20-9-5-3-7-18(20)16(2)19-8-4-6-10-21(19)22/h3-14H,1-2H3.
What are the key properties of 9-methyl-10-(4-methylphenyl)sulfonylanthracene?
9-methyl-10-(4-methylphenyl)sulfonylanthracene has a molecular weight of 346.45 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-(4-methylphenyl)sulfonylanthracene is sourced from PubChem (CID 163541913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).