1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene

C24H26O4S2 — CID 10972270

IUPAC1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2c(C)c(C)c(S(=O)(=O)c3ccc(C)cc3)c(C)c2C)cc1
InChIInChI=1S/C24H26O4S2/c1-15-7-11-21(12-8-15)29(25,26)23-17(3)19(5)24(20(6)18(23)4)30(27,28)22-13-9-16(2)10-14-22/h7-14H,1-6H3
InChIKeyVNFKBOUYHWDCOY-UHFFFAOYSA-N
MW442.60 g/mol
LogP5.20
Rot. Bonds4

About 1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene

1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene (PubChem CID 10972270) has the molecular formula C24H26O4S2 and a molecular weight of 442.60 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
PubChem CID10972270
Molecular FormulaC24H26O4S2
Molecular Weight442.60 g/mol
Exact Mass442.13
IUPAC Name1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2c(C)c(C)c(S(=O)(=O)c3ccc(C)cc3)c(C)c2C)cc1
InChIInChI=1S/C24H26O4S2/c1-15-7-11-21(12-8-15)29(25,26)23-17(3)19(5)24(20(6)18(23)4)30(27,28)22-13-9-16(2)10-14-22/h7-14H,1-6H3
InChIKeyVNFKBOUYHWDCOY-UHFFFAOYSA-N
XLogP5.20
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 55.20
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
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
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
9-methyl-10-(4-methylphenyl)sulfonylanthracene
CID 163541913
1,2,3-tris-(4-methylphenyl)sulfonylbenzene
CID 18699518
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
2,5-dibromo-3,6-bis-(4-methylphenyl)sulfonylcyclohexa-2,5-diene-1,4-dione
CID 23048682

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene?
The IUPAC name of 1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene (CID 10972270) is 1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene.
What is the SMILES notation for 1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene?
The canonical SMILES for 1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene is Cc1ccc(S(=O)(=O)c2c(C)c(C)c(S(=O)(=O)c3ccc(C)cc3)c(C)c2C)cc1.
What is the InChIKey of 1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene?
The InChIKey is VNFKBOUYHWDCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4S2/c1-15-7-11-21(12-8-15)29(25,26)23-17(3)19(5)24(20(6)18(23)4)30(27,28)22-13-9-16(2)10-14-22/h7-14H,1-6H3.
What are the key properties of 1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene?
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene has a molecular weight of 442.60 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 10972270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).