1-methyl-4-(4-phenylphenyl)sulfonylbenzene

C19H16O2S — CID 2801718

IUPAC1-methyl-4-(4-phenylphenyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C19H16O2S/c1-15-7-11-18(12-8-15)22(20,21)19-13-9-17(10-14-19)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyFJXDTDJMXJBRFA-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.49
Rot. Bonds3

About 1-methyl-4-(4-phenylphenyl)sulfonylbenzene

1-methyl-4-(4-phenylphenyl)sulfonylbenzene (PubChem CID 2801718) has the molecular formula C19H16O2S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-methyl-4-(4-phenylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-(4-phenylphenyl)sulfonylbenzene
PubChem CID2801718
Molecular FormulaC19H16O2S
Molecular Weight308.40 g/mol
Exact Mass308.09
IUPAC Name1-methyl-4-(4-phenylphenyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C19H16O2S/c1-15-7-11-18(12-8-15)22(20,21)19-13-9-17(10-14-19)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyFJXDTDJMXJBRFA-UHFFFAOYSA-N
XLogP4.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
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-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
azulene;4-methylbenzenesulfonic acid
CID 172756596
2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene
CID 102599504
2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene
CID 102599502
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-phenylphenyl)sulfonylbenzene?
The IUPAC name of 1-methyl-4-(4-phenylphenyl)sulfonylbenzene (CID 2801718) is 1-methyl-4-(4-phenylphenyl)sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-(4-phenylphenyl)sulfonylbenzene?
The canonical SMILES for 1-methyl-4-(4-phenylphenyl)sulfonylbenzene is Cc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-(4-phenylphenyl)sulfonylbenzene?
The InChIKey is FJXDTDJMXJBRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2S/c1-15-7-11-18(12-8-15)22(20,21)19-13-9-17(10-14-19)16-5-3-2-4-6-16/h2-14H,1H3.
What are the key properties of 1-methyl-4-(4-phenylphenyl)sulfonylbenzene?
1-methyl-4-(4-phenylphenyl)sulfonylbenzene has a molecular weight of 308.40 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-phenylphenyl)sulfonylbenzene is sourced from PubChem (CID 2801718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).