2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene

C24H20O2S — CID 54552474

IUPAC2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene
SMILESCc1ccc(Cc2ccc(S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C24H20O2S/c1-18-6-8-19(9-7-18)16-20-10-13-23(14-11-20)27(25,26)24-15-12-21-4-2-3-5-22(21)17-24/h2-15,17H,16H2,1H3
InChIKeyZKWDBOOHFXDMNJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.57
Rot. Bonds4

About 2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene

2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene (PubChem CID 54552474) has the molecular formula C24H20O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene
PubChem CID54552474
Molecular FormulaC24H20O2S
Molecular Weight372.49 g/mol
Exact Mass372.12
IUPAC Name2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene
SMILESCc1ccc(Cc2ccc(S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C24H20O2S/c1-18-6-8-19(9-7-18)16-20-10-13-23(14-11-20)27(25,26)24-15-12-21-4-2-3-5-22(21)17-24/h2-15,17H,16H2,1H3
InChIKeyZKWDBOOHFXDMNJ-UHFFFAOYSA-N
XLogP5.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(bromomethyl)phenyl]sulfonylnaphthalene
CID 54331291
1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158013343
2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene
CID 11324042
2-(4-chlorophenyl)sulfonylnaphthalene
CID 2506576
1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158838214
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 58021566
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
6-(4-methylphenyl)sulfonylnaphthalene-2-carboxylic acid
CID 101126034
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene?
The IUPAC name of 2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene (CID 54552474) is 2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene.
What is the SMILES notation for 2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene?
The canonical SMILES for 2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene is Cc1ccc(Cc2ccc(S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene?
The InChIKey is ZKWDBOOHFXDMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O2S/c1-18-6-8-19(9-7-18)16-20-10-13-23(14-11-20)27(25,26)24-15-12-21-4-2-3-5-22(21)17-24/h2-15,17H,16H2,1H3.
What are the key properties of 2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene?
2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene has a molecular weight of 372.49 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene is sourced from PubChem (CID 54552474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).