2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride

C18H18Cl2N2O3S2 — CID 54116967

IUPAC2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride
SMILESCc1ccc(/N=C2\SCC(O)(c3ccc(Cl)c(S(=O)(=O)Cl)c3)N2C)c(C)c1
InChIInChI=1S/C18H18Cl2N2O3S2/c1-11-4-7-15(12(2)8-11)21-17-22(3)18(23,10-26-17)13-5-6-14(19)16(9-13)27(20,24)25/h4-9,23H,10H2,1-3H3/b21-17-
InChIKeyNKZNEMHKBHJMHW-FXBPSFAMSA-N
MW445.39 g/mol
LogP4.40
Rot. Bonds3

About 2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride

2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride (PubChem CID 54116967) has the molecular formula C18H18Cl2N2O3S2 and a molecular weight of 445.39 g/mol. Its IUPAC name is 2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride
PubChem CID54116967
Molecular FormulaC18H18Cl2N2O3S2
Molecular Weight445.39 g/mol
Exact Mass444.01
IUPAC Name2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride
SMILESCc1ccc(/N=C2\SCC(O)(c3ccc(Cl)c(S(=O)(=O)Cl)c3)N2C)c(C)c1
InChIInChI=1S/C18H18Cl2N2O3S2/c1-11-4-7-15(12(2)8-11)21-17-22(3)18(23,10-26-17)13-5-6-14(19)16(9-13)27(20,24)25/h4-9,23H,10H2,1-3H3/b21-17-
InChIKeyNKZNEMHKBHJMHW-FXBPSFAMSA-N
XLogP4.40
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide;hydrobromide
CID 20527331
2-chloro-5-[4-hydroxy-3-methyl-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 20527332
2-chloro-5-[2-(4-fluoroanilino)-4-hydroxy-5H-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 20527421
2-Chloro-5-[2-(4-fluorophenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride
CID 53831505
2-chloro-5-[4-hydroxy-2-(4-hydroxyphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 13091804
4-(4-Chloro-3-dimethylsulfamoylphenyl)-2-(4-hydroxyphenylimino)-3-methyl-thiazolidin-4-ol hydrobromide
CID 13091805
2-Chloro-5-[2-(2,4-diethylphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonyl chloride;hydrobromide
CID 20527147
2-Chloro-5-[2-(2,4-diethylphenyl)imino-3-methyl-1,3-thiazol-4-yl]benzenesulfonyl chloride
CID 20527148
4-(4-Chloro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-2-phenylimino-1,3-thiazolidin-4-ol
CID 20527198
4-(4-Chloro-3-sulfamoylphenyl)-3-methyl-2-phenyliminothiazolidin-4-ol hydrobromide
CID 20527204
4-(4-Chloro-3-sulfamoylphenyl)-3-methyl-2-phenyliminothiazolidin-4-ol
CID 20527205
2-chloro-N,N-diethyl-5-(4-hydroxy-3-methyl-2-phenylimino-1,3-thiazolidin-4-yl)benzenesulfonamide
CID 20527287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride (CID 54116967) is 2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride is Cc1ccc(/N=C2\SCC(O)(c3ccc(Cl)c(S(=O)(=O)Cl)c3)N2C)c(C)c1.
What is the InChIKey of 2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride?
The InChIKey is NKZNEMHKBHJMHW-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S2/c1-11-4-7-15(12(2)8-11)21-17-22(3)18(23,10-26-17)13-5-6-14(19)16(9-13)27(20,24)25/h4-9,23H,10H2,1-3H3/b21-17-.
What are the key properties of 2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride?
2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride has a molecular weight of 445.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(2,4-dimethylphenyl)imino-4-hydroxy-3-methyl-1,3-thiazolidin-4-yl]benzenesulfonyl chloride is sourced from PubChem (CID 54116967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).