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

C15H9Cl3N4O3S2 — CID 100598190

IUPAC2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(S(=O)(=O)Nc2cccc(Cl)c2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3N4O3S2/c16-8-2-1-3-10(6-8)22-27(24,25)15-21-20-14(26-15)19-13(23)11-5-4-9(17)7-12(11)18/h1-7,22H,(H,19,20,23)
InChIKeyZECAFCGSRJSGEO-UHFFFAOYSA-N
MW463.76 g/mol
LogP4.55
Rot. Bonds5

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

2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 100598190) has the molecular formula C15H9Cl3N4O3S2 and a molecular weight of 463.76 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID100598190
Molecular FormulaC15H9Cl3N4O3S2
Molecular Weight463.76 g/mol
Exact Mass461.92
IUPAC Name2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(S(=O)(=O)Nc2cccc(Cl)c2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3N4O3S2/c16-8-2-1-3-10(6-8)22-27(24,25)15-21-20-14(26-15)19-13(23)11-5-4-9(17)7-12(11)18/h1-7,22H,(H,19,20,23)
InChIKeyZECAFCGSRJSGEO-UHFFFAOYSA-N
XLogP4.55
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.76
LogP ≤ 54.55
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-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100761553
N-[5-[(4-bromophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide
CID 100579791
2-chloro-N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100513021
2-chloro-N-[5-[(2,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100744633
2,4-dichloro-N-[5-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100559714
2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100595456
N-[5-(butan-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide
CID 133199546
2,4-dichloro-N-[5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133184982
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-[1-(2-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133184676
2,4-dichloro-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100538861
2,4-dichloro-N-[5-(4-methylpiperazin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide
CID 100761146

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide (CID 100598190) is 2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(S(=O)(=O)Nc2cccc(Cl)c2)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is ZECAFCGSRJSGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N4O3S2/c16-8-2-1-3-10(6-8)22-27(24,25)15-21-20-14(26-15)19-13(23)11-5-4-9(17)7-12(11)18/h1-7,22H,(H,19,20,23).
What are the key properties of 2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 463.76 g/mol, XLogP of 4.55, 5 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-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 100598190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).