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

C15H10Cl2N4O3S2 — CID 100559170

IUPACN-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)s1)c1ccccc1
InChIInChI=1S/C15H10Cl2N4O3S2/c16-10-6-11(17)8-12(7-10)21-26(23,24)15-20-19-14(25-15)18-13(22)9-4-2-1-3-5-9/h1-8,21H,(H,18,19,22)
InChIKeyCYIVDWPXYMNBFA-UHFFFAOYSA-N
MW429.31 g/mol
LogP3.90
Rot. Bonds5

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

N-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 100559170) has the molecular formula C15H10Cl2N4O3S2 and a molecular weight of 429.31 g/mol. Its IUPAC name is N-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID100559170
Molecular FormulaC15H10Cl2N4O3S2
Molecular Weight429.31 g/mol
Exact Mass427.96
IUPAC NameN-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)s1)c1ccccc1
InChIInChI=1S/C15H10Cl2N4O3S2/c16-10-6-11(17)8-12(7-10)21-26(23,24)15-20-19-14(25-15)18-13(22)9-4-2-1-3-5-9/h1-8,21H,(H,18,19,22)
InChIKeyCYIVDWPXYMNBFA-UHFFFAOYSA-N
XLogP3.90
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 53.90
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

4-chloro-N-[5-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100645181
2-chloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100761553
2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100598190
2-chloro-N-[5-[(2,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100744633
3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17012997
2-chloro-N-[5-(naphthalen-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100595456
N-[5-[(3,5-dimethylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 100660058
2-chloro-N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100513021
4-chloro-N-[5-[[(1R)-1-phenylpropyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100648432
N-[5-[[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100714608
N-[5-[(3-methylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100572681
4-chloro-N-[5-[(4-piperidin-1-ylsulfonylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100510355

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide (CID 100559170) is N-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)s1)c1ccccc1.
What is the InChIKey of N-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is CYIVDWPXYMNBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O3S2/c16-10-6-11(17)8-12(7-10)21-26(23,24)15-20-19-14(25-15)18-13(22)9-4-2-1-3-5-9/h1-8,21H,(H,18,19,22).
What are the key properties of N-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide?
N-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 429.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 100559170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).