2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide

C18H20ClN3O3S2 — CID 20527326

IUPAC2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN1/C(=N/c2ccccc2)SCC1(O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H20ClN3O3S2/c1-21(2)27(24,25)16-11-13(9-10-15(16)19)18(23)12-26-17(22(18)3)20-14-7-5-4-6-8-14/h4-11,23H,12H2,1-3H3/b20-17-
InChIKeyYTLQJNAAHOFOHH-JZJYNLBNSA-N
MW425.96 g/mol
LogP3.10
Rot. Bonds4

About 2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide

2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 20527326) has the molecular formula C18H20ClN3O3S2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID20527326
Molecular FormulaC18H20ClN3O3S2
Molecular Weight425.96 g/mol
Exact Mass425.06
IUPAC Name2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN1/C(=N/c2ccccc2)SCC1(O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H20ClN3O3S2/c1-21(2)27(24,25)16-11-13(9-10-15(16)19)18(23)12-26-17(22(18)3)20-14-7-5-4-6-8-14/h4-11,23H,12H2,1-3H3/b20-17-
InChIKeyYTLQJNAAHOFOHH-JZJYNLBNSA-N
XLogP3.10
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide (CID 20527326) is 2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide is CN1/C(=N/c2ccccc2)SCC1(O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is YTLQJNAAHOFOHH-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H20ClN3O3S2/c1-21(2)27(24,25)16-11-13(9-10-15(16)19)18(23)12-26-17(22(18)3)20-14-7-5-4-6-8-14/h4-11,23H,12H2,1-3H3/b20-17-.
What are the key properties of 2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide?
2-chloro-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 425.96 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 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-phenylimino-1,3-thiazolidin-4-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 20527326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).