N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide

C18H14BrClN2O3S2 — CID 42228239

IUPACN-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
SMILESCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14BrClN2O3S2/c1-2-22-17(23)16(11-12-3-5-13(19)6-4-12)26-18(22)21-27(24,25)15-9-7-14(20)8-10-15/h3-11H,2H2,1H3/b16-11-,21-18?
InChIKeyONJNWEFFNSZXOW-ALGNWURXSA-N
MW485.81 g/mol
LogP4.78
Rot. Bonds4

About N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide

N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide (PubChem CID 42228239) has the molecular formula C18H14BrClN2O3S2 and a molecular weight of 485.81 g/mol. Its IUPAC name is N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
PubChem CID42228239
Molecular FormulaC18H14BrClN2O3S2
Molecular Weight485.81 g/mol
Exact Mass483.93
IUPAC NameN-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide
SMILESCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14BrClN2O3S2/c1-2-22-17(23)16(11-12-3-5-13(19)6-4-12)26-18(22)21-27(24,25)15-9-7-14(20)8-10-15/h3-11H,2H2,1H3/b16-11-,21-18?
InChIKeyONJNWEFFNSZXOW-ALGNWURXSA-N
XLogP4.78
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.81
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(5Z)-3-ethyl-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 42228248
4-bromo-N-[5-[(4-bromophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 4987476
N-[5-[(4-bromophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-4-ethylbenzenesulfonamide
CID 3331759
N-[5-[(4-bromophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
CID 1386746
4-bromo-N-[3-ethyl-5-[(2-fluoro-3-iodophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 3955249
4-bromo-N-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 51567121
4-chloro-N-[5-[(2,4-dimethoxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 3462971
(5E)-5-[(4-bromophenyl)methylidene]-3-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9484611
N-[(5E)-5-(dimethylaminomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
CID 2133648
(5E)-5-[(4-bromophenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486949
5-[(4-bromophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1350429
N-[3-ethyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 4617574

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide (CID 42228239) is N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide is CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide?
The InChIKey is ONJNWEFFNSZXOW-ALGNWURXSA-N. The full InChI is InChI=1S/C18H14BrClN2O3S2/c1-2-22-17(23)16(11-12-3-5-13(19)6-4-12)26-18(22)21-27(24,25)15-9-7-14(20)8-10-15/h3-11H,2H2,1H3/b16-11-,21-18?.
What are the key properties of N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide?
N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide has a molecular weight of 485.81 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-[(4-bromophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 42228239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).