4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide

C15H11BrN2O3S2 — CID 5175041

IUPAC4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
SMILESO=C1CSC(=NS(=O)(=O)c2ccc(Br)cc2)N1c1ccccc1
InChIInChI=1S/C15H11BrN2O3S2/c16-11-6-8-13(9-7-11)23(20,21)17-15-18(14(19)10-22-15)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyOPLSRGPYMDVDIP-UHFFFAOYSA-N
MW411.30 g/mol
LogP3.27
Rot. Bonds3

About 4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide

4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide (PubChem CID 5175041) has the molecular formula C15H11BrN2O3S2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
PubChem CID5175041
Molecular FormulaC15H11BrN2O3S2
Molecular Weight411.30 g/mol
Exact Mass409.94
IUPAC Name4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
SMILESO=C1CSC(=NS(=O)(=O)c2ccc(Br)cc2)N1c1ccccc1
InChIInChI=1S/C15H11BrN2O3S2/c16-11-6-8-13(9-7-11)23(20,21)17-15-18(14(19)10-22-15)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyOPLSRGPYMDVDIP-UHFFFAOYSA-N
XLogP3.27
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 53.27
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

4-bromo-N-(5,5-dimethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
CID 4009019
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 2140708
2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one
CID 59813928
(NE)-N-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
CID 6073230
2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one
CID 72741463
4-methyl-N-(4-oxo-3-phenyl-1,3-thiazetidin-2-ylidene)benzenesulfonamide
CID 5257741
ethyl 2-[4-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]sulfonylphenyl]-4,5-dihydrobenzo[g]indazole-3-carboxylate
CID 10886310
(NZ)-4-[4-bromo-5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 52912271
2-(2-hydroxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 4149001
4-bromo-N-[(5S)-4-oxo-5-phenyl-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 51567026
(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 177407444
4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid
CID 166643267

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide (CID 5175041) is 4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide is O=C1CSC(=NS(=O)(=O)c2ccc(Br)cc2)N1c1ccccc1.
What is the InChIKey of 4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The InChIKey is OPLSRGPYMDVDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3S2/c16-11-6-8-13(9-7-11)23(20,21)17-15-18(14(19)10-22-15)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide has a molecular weight of 411.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 5175041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).