N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide

C19H17Cl2N3O3S2 — CID 2077694

IUPACN-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sccn2Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H17Cl2N3O3S2/c1-23(2)29(26,27)16-7-4-13(5-8-16)18(25)22-19-24(9-10-28-19)12-14-3-6-15(20)11-17(14)21/h3-11H,12H2,1-2H3/b22-19+
InChIKeyCLFWIARYHZFSKW-ZBJSNUHESA-N
MW470.40 g/mol
LogP3.90
Rot. Bonds5

About N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide

N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide (PubChem CID 2077694) has the molecular formula C19H17Cl2N3O3S2 and a molecular weight of 470.40 g/mol. Its IUPAC name is N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide
PubChem CID2077694
Molecular FormulaC19H17Cl2N3O3S2
Molecular Weight470.40 g/mol
Exact Mass469.01
IUPAC NameN-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sccn2Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H17Cl2N3O3S2/c1-23(2)29(26,27)16-7-4-13(5-8-16)18(25)22-19-24(9-10-28-19)12-14-3-6-15(20)11-17(14)21/h3-11H,12H2,1-2H3/b22-19+
InChIKeyCLFWIARYHZFSKW-ZBJSNUHESA-N
XLogP3.90
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide
CID 18225540
4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide
CID 38270716
3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 46137185
4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 7930627
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide
CID 78845259
N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
CID 4595842
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3,5-dinitrobenzamide
CID 27676586
N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3331205
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 2551153
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
CID 2152677
6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 24905713
N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 121055487

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide (CID 2077694) is N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sccn2Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is CLFWIARYHZFSKW-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S2/c1-23(2)29(26,27)16-7-4-13(5-8-16)18(25)22-19-24(9-10-28-19)12-14-3-6-15(20)11-17(14)21/h3-11H,12H2,1-2H3/b22-19+.
What are the key properties of N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide?
N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 470.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2077694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).