3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one

C15H12N2O3S2 — CID 1391562

IUPAC3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccccc2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O3S2/c18-14-11-21-15(16-12-7-3-1-4-8-12)17(14)22(19,20)13-9-5-2-6-10-13/h1-10H,11H2/b16-15-
InChIKeyDAIZRJXBFWFFAK-NXVVXOECSA-N
MW332.41 g/mol
LogP2.64
Rot. Bonds3

About 3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one

3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 1391562) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID1391562
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC Name3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccccc2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O3S2/c18-14-11-21-15(16-12-7-3-1-4-8-12)17(14)22(19,20)13-9-5-2-6-10-13/h1-10H,11H2/b16-15-
InChIKeyDAIZRJXBFWFFAK-NXVVXOECSA-N
XLogP2.64
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-phenylimino-1,3-thiazolidin-4-one
CID 6456050
3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride
CID 141064791
3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 121015318
2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42625457
2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide
CID 4082312
4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid
CID 166643267
(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione
CID 7731083
5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide
CID 3079568
3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one
CID 154246141
3-methyl-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide
CID 3025819
4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
CID 5175041
3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 5498782

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 1391562) is 3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccccc2)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is DAIZRJXBFWFFAK-NXVVXOECSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c18-14-11-21-15(16-12-7-3-1-4-8-12)17(14)22(19,20)13-9-5-2-6-10-13/h1-10H,11H2/b16-15-.
What are the key properties of 3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one?
3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 332.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1391562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).