N-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide

C18H18Cl2N2O5S2 — CID 21005390

IUPACN-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H18Cl2N2O5S2/c1-11-8-13(22-17(23)18(2,3)10-28(22,24)25)5-7-16(11)29(26,27)21-15-9-12(19)4-6-14(15)20/h4-9,21H,10H2,1-3H3
InChIKeyFOCQZDTZWSBPFL-UHFFFAOYSA-N
MW477.39 g/mol
LogP3.81
Rot. Bonds4

About N-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide

N-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide (PubChem CID 21005390) has the molecular formula C18H18Cl2N2O5S2 and a molecular weight of 477.39 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide
PubChem CID21005390
Molecular FormulaC18H18Cl2N2O5S2
Molecular Weight477.39 g/mol
Exact Mass476.00
IUPAC NameN-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H18Cl2N2O5S2/c1-11-8-13(22-17(23)18(2,3)10-28(22,24)25)5-7-16(11)29(26,27)21-15-9-12(19)4-6-14(15)20/h4-9,21H,10H2,1-3H3
InChIKeyFOCQZDTZWSBPFL-UHFFFAOYSA-N
XLogP3.81
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide 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

4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 21005316
N-(2,4-dimethylphenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide
CID 21005321
N-(5-chloro-2-methylphenyl)-2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694341
ethyl 4-[[4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]sulfonylamino]benzoate
CID 21005380
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 21005286
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 21005304
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbenzenesulfonamide
CID 21005386
N-(1,3-benzodioxol-5-ylmethyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide
CID 21005281
N-(3,4-dimethylphenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004992
N-(2,4-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007063
N-(2-fluorophenyl)-2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694548
5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 21005585

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide (CID 21005390) is N-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide is Cc1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1S(=O)(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is FOCQZDTZWSBPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O5S2/c1-11-8-13(22-17(23)18(2,3)10-28(22,24)25)5-7-16(11)29(26,27)21-15-9-12(19)4-6-14(15)20/h4-9,21H,10H2,1-3H3.
What are the key properties of N-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide?
N-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 477.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 21005390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).