1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene

C20H18O4S2 — CID 14008088

IUPAC1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C20H18O4S2/c1-15-3-7-17(8-4-15)25(21,22)19-11-13-20(14-12-19)26(23,24)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKeyWBNZBQIDKWKJAH-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.97
Rot. Bonds4

About 1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene

1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene (PubChem CID 14008088) has the molecular formula C20H18O4S2 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
PubChem CID14008088
Molecular FormulaC20H18O4S2
Molecular Weight386.49 g/mol
Exact Mass386.06
IUPAC Name1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C20H18O4S2/c1-15-3-7-17(8-4-15)25(21,22)19-11-13-20(14-12-19)26(23,24)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKeyWBNZBQIDKWKJAH-UHFFFAOYSA-N
XLogP3.97
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
CID 12648459
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
bis(4-(4-methylphenyl)sulfonylphenol);molecular hydrogen;hydrochloride
CID 160552688

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene?
The IUPAC name of 1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene (CID 14008088) is 1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene?
The canonical SMILES for 1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene is Cc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene?
The InChIKey is WBNZBQIDKWKJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4S2/c1-15-3-7-17(8-4-15)25(21,22)19-11-13-20(14-12-19)26(23,24)18-9-5-16(2)6-10-18/h3-14H,1-2H3.
What are the key properties of 1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene?
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene has a molecular weight of 386.49 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene is sourced from PubChem (CID 14008088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).