3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide

C13H16N4O3S2 — CID 691868

IUPAC3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C13H16N4O3S2/c1-3-17(4-2)22(19,20)11-7-5-6-10(8-11)12(18)15-13-16-14-9-21-13/h5-9H,3-4H2,1-2H3,(H,15,16,18)
InChIKeyZILKGLDSYYFWJP-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.82
Rot. Bonds6

About 3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide

3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 691868) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID691868
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC Name3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C13H16N4O3S2/c1-3-17(4-2)22(19,20)11-7-5-6-10(8-11)12(18)15-13-16-14-9-21-13/h5-9H,3-4H2,1-2H3,(H,15,16,18)
InChIKeyZILKGLDSYYFWJP-UHFFFAOYSA-N
XLogP1.82
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 691868) is 3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nncs2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is ZILKGLDSYYFWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-3-17(4-2)22(19,20)11-7-5-6-10(8-11)12(18)15-13-16-14-9-21-13/h5-9H,3-4H2,1-2H3,(H,15,16,18).
What are the key properties of 3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 340.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 691868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).