2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C17H13Cl3N2O4S — CID 21007313

IUPAC2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(Cl)c3Cl)c(Cl)c2)C1=O
InChIInChI=1S/C17H13Cl3N2O4S/c1-9-8-27(25,26)22(17(9)24)10-5-6-11(13(19)7-10)16(23)21-14-4-2-3-12(18)15(14)20/h2-7,9H,8H2,1H3,(H,21,23)
InChIKeyAKHKYDFHAQALOI-UHFFFAOYSA-N
MW447.73 g/mol
LogP4.21
Rot. Bonds3

About 2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 21007313) has the molecular formula C17H13Cl3N2O4S and a molecular weight of 447.73 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID21007313
Molecular FormulaC17H13Cl3N2O4S
Molecular Weight447.73 g/mol
Exact Mass445.97
IUPAC Name2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(Cl)c3Cl)c(Cl)c2)C1=O
InChIInChI=1S/C17H13Cl3N2O4S/c1-9-8-27(25,26)22(17(9)24)10-5-6-11(13(19)7-10)16(23)21-14-4-2-3-12(18)15(14)20/h2-7,9H,8H2,1H3,(H,21,23)
InChIKeyAKHKYDFHAQALOI-UHFFFAOYSA-N
XLogP4.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.73
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2,3-dimethylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833661
2-chloro-N-(4-chloro-2-methylphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007276
2-chloro-N-(5-chloro-2-methoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007281
2-chloro-N-(3,4-dimethylphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997077
2-chloro-N-(3,4-dimethylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26833655
2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-phenoxyphenyl)benzamide
CID 26833730
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007345
2-chloro-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-prop-2-enylbenzamide
CID 21007236
2-chloro-N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997031
2-chloro-N-[(4-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997032
2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(3-phenylpropyl)benzamide
CID 26833635
2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 26833593

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 21007313) is 2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CC1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(Cl)c3Cl)c(Cl)c2)C1=O.
What is the InChIKey of 2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is AKHKYDFHAQALOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O4S/c1-9-8-27(25,26)22(17(9)24)10-5-6-11(13(19)7-10)16(23)21-14-4-2-3-12(18)15(14)20/h2-7,9H,8H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 447.73 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dichlorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 21007313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).