N-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide

C18H15Cl2N3O3S2 — CID 3127835

IUPACN-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(CCS(=O)(=O)c3cc(Cl)ccc3Cl)s2)cc1
InChIInChI=1S/C18H15Cl2N3O3S2/c1-11-2-4-12(5-3-11)17(24)21-18-23-22-16(27-18)8-9-28(25,26)15-10-13(19)6-7-14(15)20/h2-7,10H,8-9H2,1H3,(H,21,23,24)
InChIKeyYAWOFRFFWPEAAD-UHFFFAOYSA-N
MW456.38 g/mol
LogP4.42
Rot. Bonds6

About N-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide

N-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide (PubChem CID 3127835) has the molecular formula C18H15Cl2N3O3S2 and a molecular weight of 456.38 g/mol. Its IUPAC name is N-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
PubChem CID3127835
Molecular FormulaC18H15Cl2N3O3S2
Molecular Weight456.38 g/mol
Exact Mass454.99
IUPAC NameN-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(CCS(=O)(=O)c3cc(Cl)ccc3Cl)s2)cc1
InChIInChI=1S/C18H15Cl2N3O3S2/c1-11-2-4-12(5-3-11)17(24)21-18-23-22-16(27-18)8-9-28(25,26)15-10-13(19)6-7-14(15)20/h2-7,10H,8-9H2,1H3,(H,21,23,24)
InChIKeyYAWOFRFFWPEAAD-UHFFFAOYSA-N
XLogP4.42
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide 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

3-fluoro-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1440659
4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2379114
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-methylsulfonylbenzamide
CID 31289416
4-chloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2201164
4-chloro-3-(dimethylsulfamoyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55378023
N-[5-[2-(4-chlorophenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 100541989
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
4-acetamido-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17193282
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 2258431
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide
CID 82176238
4-methoxy-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17193090
ethyl 2-[[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetate
CID 3342372

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide (CID 3127835) is N-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2nnc(CCS(=O)(=O)c3cc(Cl)ccc3Cl)s2)cc1.
What is the InChIKey of N-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide?
The InChIKey is YAWOFRFFWPEAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3S2/c1-11-2-4-12(5-3-11)17(24)21-18-23-22-16(27-18)8-9-28(25,26)15-10-13(19)6-7-14(15)20/h2-7,10H,8-9H2,1H3,(H,21,23,24).
What are the key properties of N-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide?
N-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide has a molecular weight of 456.38 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 3127835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).