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

C16H14N4O3S2 — CID 2421021

IUPAC4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nncs3)cc2)cc1
InChIInChI=1S/C16H14N4O3S2/c1-11-2-6-13(7-3-11)20-25(22,23)14-8-4-12(5-9-14)15(21)18-16-19-17-10-24-16/h2-10,20H,1H3,(H,18,19,21)
InChIKeyFCMATEPFVFOEBU-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.90
Rot. Bonds5

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

4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2421021) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2421021
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC Name4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nncs3)cc2)cc1
InChIInChI=1S/C16H14N4O3S2/c1-11-2-6-13(7-3-11)20-25(22,23)14-8-4-12(5-9-14)15(21)18-16-19-17-10-24-16/h2-10,20H,1H3,(H,18,19,21)
InChIKeyFCMATEPFVFOEBU-UHFFFAOYSA-N
XLogP2.90
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 2421021) is 4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nncs3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FCMATEPFVFOEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-11-2-6-13(7-3-11)20-25(22,23)14-8-4-12(5-9-14)15(21)18-16-19-17-10-24-16/h2-10,20H,1H3,(H,18,19,21).
What are the key properties of 4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 374.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2421021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).