2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide

C18H16Cl2N4O3S2 — CID 133184676

IUPAC2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C18H16Cl2N4O3S2/c1-10-5-3-4-6-13(10)11(2)24-29(26,27)18-23-22-17(28-18)21-16(25)14-8-7-12(19)9-15(14)20/h3-9,11,24H,1-2H3,(H,21,22,25)
InChIKeyMAHUXIYAAVXOHF-UHFFFAOYSA-N
MW471.39 g/mol
LogP4.45
Rot. Bonds6

About 2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide

2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 133184676) has the molecular formula C18H16Cl2N4O3S2 and a molecular weight of 471.39 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID133184676
Molecular FormulaC18H16Cl2N4O3S2
Molecular Weight471.39 g/mol
Exact Mass470.00
IUPAC Name2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C18H16Cl2N4O3S2/c1-10-5-3-4-6-13(10)11(2)24-29(26,27)18-23-22-17(28-18)21-16(25)14-8-7-12(19)9-15(14)20/h3-9,11,24H,1-2H3,(H,21,22,25)
InChIKeyMAHUXIYAAVXOHF-UHFFFAOYSA-N
XLogP4.45
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.39
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[5-[1-(2,4-dimethylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133187457
N-[5-(butan-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide
CID 133199546
2-chloro-N-[5-[[(1S)-1-phenylethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100766365
2-chloro-N-[5-[1-(4-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133202722
2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100598190
2,4-dichloro-N-[5-[[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100770351
2,4-dichloro-N-[5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133184982
N-[5-[[(1S)-1-(3,4-dimethylphenyl)ethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 100669516
2,4-dichloro-N-[5-[[(2R)-1-(4-methoxyphenoxy)propan-2-yl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100713351
4-chloro-N-[5-[1-(2-methylphenyl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133210239
N-[5-(butan-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 133201796
N-[5-[(4-bromophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide
CID 100579791

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide (CID 133184676) is 2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide is Cc1ccccc1C(C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is MAHUXIYAAVXOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O3S2/c1-10-5-3-4-6-13(10)11(2)24-29(26,27)18-23-22-17(28-18)21-16(25)14-8-7-12(19)9-15(14)20/h3-9,11,24H,1-2H3,(H,21,22,25).
What are the key properties of 2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 471.39 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[5-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 133184676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).