N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide

C19H19ClN2O3S2 — CID 27317879

IUPACN-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
SMILESCCCC[C@@H]1SC(=NS(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H19ClN2O3S2/c1-2-3-9-17-18(23)22(15-7-5-4-6-8-15)19(26-17)21-27(24,25)16-12-10-14(20)11-13-16/h4-8,10-13,17H,2-3,9H2,1H3/t17-/m0/s1
InChIKeyBIXPSTMFUQVXIM-KRWDZBQOSA-N
MW422.96 g/mol
LogP4.72
Rot. Bonds6

About N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide

N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide (PubChem CID 27317879) has the molecular formula C19H19ClN2O3S2 and a molecular weight of 422.96 g/mol. Its IUPAC name is N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
PubChem CID27317879
Molecular FormulaC19H19ClN2O3S2
Molecular Weight422.96 g/mol
Exact Mass422.05
IUPAC NameN-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
SMILESCCCC[C@@H]1SC(=NS(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H19ClN2O3S2/c1-2-3-9-17-18(23)22(15-7-5-4-6-8-15)19(26-17)21-27(24,25)16-12-10-14(20)11-13-16/h4-8,10-13,17H,2-3,9H2,1H3/t17-/m0/s1
InChIKeyBIXPSTMFUQVXIM-KRWDZBQOSA-N
XLogP4.72
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5R)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
CID 27317882
2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 4260826
2-[(5R)-2-(4-chlorophenyl)sulfonylimino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 98157237
N-(5-ethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)pentane-1-sulfonamide
CID 71951884
2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 41168164
2-[(5R)-2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 42497013
(2Z,5S)-3-benzyl-5-butyl-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7412162
2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 3593657
4-chloro-N-[5-(dimethylaminomethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 3410074
2-[(5R)-2-(4-bromophenyl)sulfonylimino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 98157005
2-[(2E)-2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 6158377
2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 4590729

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide (CID 27317879) is N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide is CCCC[C@@H]1SC(=NS(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O.
What is the InChIKey of N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide?
The InChIKey is BIXPSTMFUQVXIM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19ClN2O3S2/c1-2-3-9-17-18(23)22(15-7-5-4-6-8-15)19(26-17)21-27(24,25)16-12-10-14(20)11-13-16/h4-8,10-13,17H,2-3,9H2,1H3/t17-/m0/s1.
What are the key properties of N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide?
N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide has a molecular weight of 422.96 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-butyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 27317879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).