2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide

C22H28BrClN4O2S2 — CID 20527165

IUPAC2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide
SMILESBr.CCN(CC)c1ccc(/N=c2\scc(-c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)n2C)cc1
InChIInChI=1S/C22H27ClN4O2S2.BrH/c1-6-27(7-2)18-11-9-17(10-12-18)24-22-26(5)20(15-30-22)16-8-13-19(23)21(14-16)31(28,29)25(3)4;/h8-15H,6-7H2,1-5H3;1H/b24-22-;
InChIKeyCSFZAQNWDRSWFZ-WKKHQKTCSA-N
MW559.98 g/mol
LogP5.31
Rot. Bonds7

About 2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide

2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide (PubChem CID 20527165) has the molecular formula C22H28BrClN4O2S2 and a molecular weight of 559.98 g/mol. Its IUPAC name is 2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide.

Molecular Properties

Compound Name2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide
PubChem CID20527165
Molecular FormulaC22H28BrClN4O2S2
Molecular Weight559.98 g/mol
Exact Mass558.05
IUPAC Name2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide
SMILESBr.CCN(CC)c1ccc(/N=c2\scc(-c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)n2C)cc1
InChIInChI=1S/C22H27ClN4O2S2.BrH/c1-6-27(7-2)18-11-9-17(10-12-18)24-22-26(5)20(15-30-22)16-8-13-19(23)21(14-16)31(28,29)25(3)4;/h8-15H,6-7H2,1-5H3;1H/b24-22-;
InChIKeyCSFZAQNWDRSWFZ-WKKHQKTCSA-N
XLogP5.31
TPSA57.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.98
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze 2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide 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 2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide?
The IUPAC name of 2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide (CID 20527165) is 2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide.
What is the SMILES notation for 2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide?
The canonical SMILES for 2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide is Br.CCN(CC)c1ccc(/N=c2\scc(-c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)n2C)cc1.
What is the InChIKey of 2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide?
The InChIKey is CSFZAQNWDRSWFZ-WKKHQKTCSA-N. The full InChI is InChI=1S/C22H27ClN4O2S2.BrH/c1-6-27(7-2)18-11-9-17(10-12-18)24-22-26(5)20(15-30-22)16-8-13-19(23)21(14-16)31(28,29)25(3)4;/h8-15H,6-7H2,1-5H3;1H/b24-22-;.
What are the key properties of 2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide?
2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide has a molecular weight of 559.98 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[4-(diethylamino)phenyl]imino-3-methyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide is sourced from PubChem (CID 20527165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).