1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene

C20H17FO2S — CID 101487520

IUPAC1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FO2S/c1-15-7-13-19(14-8-15)24(22,23)20(16-5-3-2-4-6-16)17-9-11-18(21)12-10-17/h2-14,20H,1H3
InChIKeyALGLTMQXWWZGIN-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.70
Rot. Bonds4

About 1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene

1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene (PubChem CID 101487520) has the molecular formula C20H17FO2S and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene
PubChem CID101487520
Molecular FormulaC20H17FO2S
Molecular Weight340.42 g/mol
Exact Mass340.09
IUPAC Name1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FO2S/c1-15-7-13-19(14-8-15)24(22,23)20(16-5-3-2-4-6-16)17-9-11-18(21)12-10-17/h2-14,20H,1H3
InChIKeyALGLTMQXWWZGIN-UHFFFAOYSA-N
XLogP4.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

SC-57666
CID 443373
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
5-(4-Fluorophenyl)-6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene
CID 9851770
1,3,5-Trimethyl-2-(4-methylphenyl)sulfonylbenzene
CID 272513
((3-Phenylpropyl)sulfonyl)benzene
CID 97180
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
Di-2,4-xylyl sulfone
CID 78859
1-Methyl-4-[2-(4-methylphenyl)sulfonylethenylsulfonyl]benzene
CID 284471

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene (CID 101487520) is 1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)C(c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene?
The InChIKey is ALGLTMQXWWZGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO2S/c1-15-7-13-19(14-8-15)24(22,23)20(16-5-3-2-4-6-16)17-9-11-18(21)12-10-17/h2-14,20H,1H3.
What are the key properties of 1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene?
1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene has a molecular weight of 340.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 101487520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).