2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride

C22H28Cl3N3O3S2 — CID 22760586

About 2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride

2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 22760586) has the molecular formula C22H28Cl3N3O3S2 and a molecular weight of 552.98 g/mol. Its IUPAC name is 2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

• Compound Name: 2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
• PubChem CID: 22760586
• Molecular Formula: C22H28Cl3N3O3S2
• Molecular Weight: 552.98 g/mol
• Exact Mass: 551.06
• IUPAC Name: 2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride
• SMILES: CCC/N=C1\SCC(O)(c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3Cl)c2)N1CCC.Cl
• InChI: InChI=1S/C22H27Cl2N3O3S2.ClH/c1-3-11-25-21-27(12-4-2)22(28,15-31-21)17-9-10-19(24)20(13-17)32(29,30)26-14-16-7-5-6-8-18(16)23;/h5-10,13,26,28H,3-4,11-12,14-15H2,1-2H3;1H/b25-21-
• InChIKey: HFOOCLCQPRJUID-NBFRYIKDSA-N
• XLogP: 5.26
• TPSA: 82.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.98
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride?

The IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride (CID 22760586) is 2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride.

What is the SMILES notation for 2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride?

The canonical SMILES for 2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride is CCC/N=C1\SCC(O)(c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3Cl)c2)N1CCC.Cl.

What is the InChIKey of 2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride?

The InChIKey is HFOOCLCQPRJUID-NBFRYIKDSA-N. The full InChI is InChI=1S/C22H27Cl2N3O3S2.ClH/c1-3-11-25-21-27(12-4-2)22(28,15-31-21)17-9-10-19(24)20(13-17)32(29,30)26-14-16-7-5-6-8-18(16)23;/h5-10,13,26,28H,3-4,11-12,14-15H2,1-2H3;1H/b25-21-;.

What are the key properties of 2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride?

2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 552.98 g/mol, XLogP of 5.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(2-chlorophenyl)methyl]-5-(4-hydroxy-3-propyl-2-propylimino-1,3-thiazolidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 22760586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).