[2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone

C18H17F2NO3S2 — CID 122330452

IUPAC[2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCc1ccc(C2SCCN2C(=O)c2ccccc2S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C18H17F2NO3S2/c1-12-6-8-13(9-7-12)17-21(10-11-25-17)16(22)14-4-2-3-5-15(14)26(23,24)18(19)20/h2-9,17-18H,10-11H2,1H3
InChIKeyFXHLWVIAHQGKLF-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.88
Rot. Bonds4

About [2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone

[2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 122330452) has the molecular formula C18H17F2NO3S2 and a molecular weight of 397.47 g/mol. Its IUPAC name is [2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID122330452
Molecular FormulaC18H17F2NO3S2
Molecular Weight397.47 g/mol
Exact Mass397.06
IUPAC Name[2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCc1ccc(C2SCCN2C(=O)c2ccccc2S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C18H17F2NO3S2/c1-12-6-8-13(9-7-12)17-21(10-11-25-17)16(22)14-4-2-3-5-15(14)26(23,24)18(19)20/h2-9,17-18H,10-11H2,1H3
InChIKeyFXHLWVIAHQGKLF-UHFFFAOYSA-N
XLogP3.88
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of [2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone (CID 122330452) is [2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for [2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for [2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone is Cc1ccc(C2SCCN2C(=O)c2ccccc2S(=O)(=O)C(F)F)cc1.
What is the InChIKey of [2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is FXHLWVIAHQGKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3S2/c1-12-6-8-13(9-7-12)17-21(10-11-25-17)16(22)14-4-2-3-5-15(14)26(23,24)18(19)20/h2-9,17-18H,10-11H2,1H3.
What are the key properties of [2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone?
[2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 397.47 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 122330452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).