5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one

C17H16N2O3S2 — CID 4283776

IUPAC5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C(C)S/C2=N\c2ccccc2)cc1
InChIInChI=1S/C17H16N2O3S2/c1-12-8-10-15(11-9-12)24(21,22)19-16(20)13(2)23-17(19)18-14-6-4-3-5-7-14/h3-11,13H,1-2H3/b18-17-
InChIKeyUHYNFNRDDARRTI-ZCXUNETKSA-N
MW360.46 g/mol
LogP3.34
Rot. Bonds3

About 5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one

5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 4283776) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID4283776
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC Name5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C(C)S/C2=N\c2ccccc2)cc1
InChIInChI=1S/C17H16N2O3S2/c1-12-8-10-15(11-9-12)24(21,22)19-16(20)13(2)23-17(19)18-14-6-4-3-5-7-14/h3-11,13H,1-2H3/b18-17-
InChIKeyUHYNFNRDDARRTI-ZCXUNETKSA-N
XLogP3.34
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one (CID 4283776) is 5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one is Cc1ccc(S(=O)(=O)N2C(=O)C(C)S/C2=N\c2ccccc2)cc1.
What is the InChIKey of 5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is UHYNFNRDDARRTI-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-12-8-10-15(11-9-12)24(21,22)19-16(20)13(2)23-17(19)18-14-6-4-3-5-7-14/h3-11,13H,1-2H3/b18-17-.
What are the key properties of 5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one?
5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 360.46 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 4283776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).