1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene

C20H17FO3S — CID 102218720

IUPAC1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene
SMILESCOc1ccc(S(=O)(=O)c2ccc(-c3ccc(F)cc3)c(C)c2)cc1
InChIInChI=1S/C20H17FO3S/c1-14-13-19(11-12-20(14)15-3-5-16(21)6-4-15)25(22,23)18-9-7-17(24-2)8-10-18/h3-13H,1-2H3
InChIKeyRSBVOGASYDJCNI-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.64
Rot. Bonds4

About 1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene

1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene (PubChem CID 102218720) has the molecular formula C20H17FO3S and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene
PubChem CID102218720
Molecular FormulaC20H17FO3S
Molecular Weight356.42 g/mol
Exact Mass356.09
IUPAC Name1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene
SMILESCOc1ccc(S(=O)(=O)c2ccc(-c3ccc(F)cc3)c(C)c2)cc1
InChIInChI=1S/C20H17FO3S/c1-14-13-19(11-12-20(14)15-3-5-16(21)6-4-15)25(22,23)18-9-7-17(24-2)8-10-18/h3-13H,1-2H3
InChIKeyRSBVOGASYDJCNI-UHFFFAOYSA-N
XLogP4.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
CID 146026050
3-(4-Methoxy-benzenesulfonyl)-4-phenyl-butane-1-thiol
CID 19366830
4-[4,5-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10385880
1,2-Difluoro-4-(3-fluoro-4-methoxyphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10548520
1-Methyl-4-[(4-phenoxyphenyl)sulfonyl]benzene
CID 759355
1-Methyl-3-{4-[(4-methylphenyl)sulfonyl]phenoxy}benzene
CID 786799
2-Fluoro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-1-methoxy-benzene
CID 9902810
1,2-Difluoro-4-(3,4-dimethoxypheny)-5-[4(methylsulfonyl)phenyl]benzene
CID 10668927
1,2-Difluoro-4-(4-methoxy-3-methylpheny)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10739009
3-Fluoro-4-methoxy-[1,1'';2'',1'''']terphenyl-4''''-sulfonic acid amide
CID 10808251
2-(4-Methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
CID 345609
1,2-Difluoro-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)benzene
CID 44394200

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene (CID 102218720) is 1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene is COc1ccc(S(=O)(=O)c2ccc(-c3ccc(F)cc3)c(C)c2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene?
The InChIKey is RSBVOGASYDJCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO3S/c1-14-13-19(11-12-20(14)15-3-5-16(21)6-4-15)25(22,23)18-9-7-17(24-2)8-10-18/h3-13H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene?
1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene has a molecular weight of 356.42 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-2-methylbenzene is sourced from PubChem (CID 102218720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).