4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide

C17H14Br2N2O2S2 — CID 3574904

IUPAC4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide
SMILESCCn1c(-c2ccc(Br)cc2)csc1=NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H14Br2N2O2S2/c1-2-21-16(12-3-5-13(18)6-4-12)11-24-17(21)20-25(22,23)15-9-7-14(19)8-10-15/h3-11H,2H2,1H3
InChIKeyPBLMTEQKKZTAOI-UHFFFAOYSA-N
MW502.25 g/mol
LogP5.05
Rot. Bonds4

About 4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide

4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide (PubChem CID 3574904) has the molecular formula C17H14Br2N2O2S2 and a molecular weight of 502.25 g/mol. Its IUPAC name is 4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide
PubChem CID3574904
Molecular FormulaC17H14Br2N2O2S2
Molecular Weight502.25 g/mol
Exact Mass499.89
IUPAC Name4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide
SMILESCCn1c(-c2ccc(Br)cc2)csc1=NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H14Br2N2O2S2/c1-2-21-16(12-3-5-13(18)6-4-12)11-24-17(21)20-25(22,23)15-9-7-14(19)8-10-15/h3-11H,2H2,1H3
InChIKeyPBLMTEQKKZTAOI-UHFFFAOYSA-N
XLogP5.05
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.25
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze 4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide (CID 3574904) is 4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide is CCn1c(-c2ccc(Br)cc2)csc1=NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The InChIKey is PBLMTEQKKZTAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2N2O2S2/c1-2-21-16(12-3-5-13(18)6-4-12)11-24-17(21)20-25(22,23)15-9-7-14(19)8-10-15/h3-11H,2H2,1H3.
What are the key properties of 4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide has a molecular weight of 502.25 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 3574904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).