4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide

C17H15Cl2N3O2S2 — CID 155817800

IUPAC4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
SMILESCCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H15Cl2N3O2S2/c1-2-22-16(14-8-3-11(18)9-15(14)19)10-25-17(22)21-12-4-6-13(7-5-12)26(20,23)24/h3-10H,2H2,1H3,(H2,20,23,24)/b21-17-
InChIKeyOEGLVUQKHJHUEU-FXBPSFAMSA-N
MW428.37 g/mol
LogP4.42
Rot. Bonds4

About 4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide

4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide (PubChem CID 155817800) has the molecular formula C17H15Cl2N3O2S2 and a molecular weight of 428.37 g/mol. Its IUPAC name is 4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
PubChem CID155817800
Molecular FormulaC17H15Cl2N3O2S2
Molecular Weight428.37 g/mol
Exact Mass427.00
IUPAC Name4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
SMILESCCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H15Cl2N3O2S2/c1-2-22-16(14-8-3-11(18)9-15(14)19)10-25-17(22)21-12-4-6-13(7-5-12)26(20,23)24/h3-10H,2H2,1H3,(H2,20,23,24)/b21-17-
InChIKeyOEGLVUQKHJHUEU-FXBPSFAMSA-N
XLogP4.42
TPSA77.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide (CID 155817800) is 4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide is CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide?
The InChIKey is OEGLVUQKHJHUEU-FXBPSFAMSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2S2/c1-2-22-16(14-8-3-11(18)9-15(14)19)10-25-17(22)21-12-4-6-13(7-5-12)26(20,23)24/h3-10H,2H2,1H3,(H2,20,23,24)/b21-17-.
What are the key properties of 4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide?
4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide has a molecular weight of 428.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-dichlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide is sourced from PubChem (CID 155817800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).