1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene

C19H23FO2S — CID 154714003

IUPAC1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene
SMILESCc1ccc(C(F)CS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H23FO2S/c1-14-5-7-15(8-6-14)18(20)13-23(21,22)17-11-9-16(10-12-17)19(2,3)4/h5-12,18H,13H2,1-4H3
InChIKeyJCUKADIHYSFTKB-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.78
Rot. Bonds4

About 1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene

1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene (PubChem CID 154714003) has the molecular formula C19H23FO2S and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene
PubChem CID154714003
Molecular FormulaC19H23FO2S
Molecular Weight334.46 g/mol
Exact Mass334.14
IUPAC Name1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene
SMILESCc1ccc(C(F)CS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H23FO2S/c1-14-5-7-15(8-6-14)18(20)13-23(21,22)17-11-9-16(10-12-17)19(2,3)4/h5-12,18H,13H2,1-4H3
InChIKeyJCUKADIHYSFTKB-UHFFFAOYSA-N
XLogP4.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

SC-57666
CID 443373
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Etarotene
CID 6435463
1-Tert-butyl-4-(ethenesulfonyl)benzene
CID 879322
5-(4-Fluorophenyl)-6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene
CID 9851770
((3-Phenylpropyl)sulfonyl)benzene
CID 97180
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
1-Methyl-4-[2-(4-methylphenyl)sulfonylethenylsulfonyl]benzene
CID 284471
(4-Methylphenyl){3-[(4-methylphenyl)sulfonyl]propyl}dioxo-lambda~6~-sulfane
CID 1483198
1-[2-(4-Fluorophenyl)-4,4-dimethyl-1-cyclopentenyl]-4-methylsulfonylbenzene
CID 9841079
1-(4-Fluorophenyl)-2-[4-(methylsulfonyl)phenyl]benzene
CID 9905412

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene?
The IUPAC name of 1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene (CID 154714003) is 1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene is Cc1ccc(C(F)CS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene?
The InChIKey is JCUKADIHYSFTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO2S/c1-14-5-7-15(8-6-14)18(20)13-23(21,22)17-11-9-16(10-12-17)19(2,3)4/h5-12,18H,13H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene?
1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene has a molecular weight of 334.46 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)sulfonyl-1-fluoroethyl]-4-methylbenzene is sourced from PubChem (CID 154714003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).