2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride

C15H19Cl2N3O3S2 — CID 22760653

IUPAC2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
SMILESC=CC/N=C1\SCC(O)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1CC=C.Cl
InChIInChI=1S/C15H18ClN3O3S2.ClH/c1-3-7-18-14-19(8-4-2)15(20,10-23-14)11-5-6-12(16)13(9-11)24(17,21)22;/h3-6,9,20H,1-2,7-8,10H2,(H2,17,21,22);1H/b18-14-;
InChIKeyXCYWEQXZZSSPBX-NYAKATHWSA-N
MW424.38 g/mol
LogP2.33
Rot. Bonds6

About 2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride

2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 22760653) has the molecular formula C15H19Cl2N3O3S2 and a molecular weight of 424.38 g/mol. Its IUPAC name is 2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID22760653
Molecular FormulaC15H19Cl2N3O3S2
Molecular Weight424.38 g/mol
Exact Mass423.02
IUPAC Name2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
SMILESC=CC/N=C1\SCC(O)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1CC=C.Cl
InChIInChI=1S/C15H18ClN3O3S2.ClH/c1-3-7-18-14-19(8-4-2)15(20,10-23-14)11-5-6-12(16)13(9-11)24(17,21)22;/h3-6,9,20H,1-2,7-8,10H2,(H2,17,21,22);1H/b18-14-;
InChIKeyXCYWEQXZZSSPBX-NYAKATHWSA-N
XLogP2.33
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride 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-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride (CID 22760653) is 2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride is C=CC/N=C1\SCC(O)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1CC=C.Cl.
What is the InChIKey of 2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is XCYWEQXZZSSPBX-NYAKATHWSA-N. The full InChI is InChI=1S/C15H18ClN3O3S2.ClH/c1-3-7-18-14-19(8-4-2)15(20,10-23-14)11-5-6-12(16)13(9-11)24(17,21)22;/h3-6,9,20H,1-2,7-8,10H2,(H2,17,21,22);1H/b18-14-;.
What are the key properties of 2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride?
2-chloro-5-(4-hydroxy-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 424.38 g/mol, XLogP of 2.33, 6 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-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 22760653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).