2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide

C17H19BrClN3O3S2 — CID 22760454

IUPAC2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide
SMILESBr.C/N=C1\SCC(O)(c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)N1C
InChIInChI=1S/C17H18ClN3O3S2.BrH/c1-19-16-21(2)17(22,11-25-16)12-8-9-14(18)15(10-12)26(23,24)20-13-6-4-3-5-7-13;/h3-10,20,22H,11H2,1-2H3;1H/b19-16-;
InChIKeyKKRWRYWVWCZZHP-JWJVXZKMSA-N
MW492.85 g/mol
LogP3.53
Rot. Bonds4

About 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide

2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide (PubChem CID 22760454) has the molecular formula C17H19BrClN3O3S2 and a molecular weight of 492.85 g/mol. Its IUPAC name is 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide.

Molecular Properties

Compound Name2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide
PubChem CID22760454
Molecular FormulaC17H19BrClN3O3S2
Molecular Weight492.85 g/mol
Exact Mass490.97
IUPAC Name2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide
SMILESBr.C/N=C1\SCC(O)(c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)N1C
InChIInChI=1S/C17H18ClN3O3S2.BrH/c1-19-16-21(2)17(22,11-25-16)12-8-9-14(18)15(10-12)26(23,24)20-13-6-4-3-5-7-13;/h3-10,20,22H,11H2,1-2H3;1H/b19-16-;
InChIKeyKKRWRYWVWCZZHP-JWJVXZKMSA-N
XLogP3.53
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.85
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide
CID 22760409
(Z)-but-2-enedioate;2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 131710962
N-benzyl-2-chloro-5-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22756422
2-chloro-5-(4-hydroxy-3-methyl-2-piperidin-1-ylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrobromide
CID 70618073
2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride
CID 54116967
2-chloro-5-(4-hydroxy-3-methyl-2-oxo-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22756390
2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 20527332
2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
CID 22760586
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide
CID 50875246
[4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-diethylazanium
CID 21316692
2-chloro-5-(2-cyclopropylimino-4-hydroxy-3-prop-2-enyl-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 22760470

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide?
The IUPAC name of 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide (CID 22760454) is 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide.
What is the SMILES notation for 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide?
The canonical SMILES for 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide is Br.C/N=C1\SCC(O)(c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)N1C.
What is the InChIKey of 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide?
The InChIKey is KKRWRYWVWCZZHP-JWJVXZKMSA-N. The full InChI is InChI=1S/C17H18ClN3O3S2.BrH/c1-19-16-21(2)17(22,11-25-16)12-8-9-14(18)15(10-12)26(23,24)20-13-6-4-3-5-7-13;/h3-10,20,22H,11H2,1-2H3;1H/b19-16-;.
What are the key properties of 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide?
2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide has a molecular weight of 492.85 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-phenylbenzenesulfonamide;hydrobromide is sourced from PubChem (CID 22760454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).