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

C17H15ClN4O3S2 — CID 2635849

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)s1
InChIInChI=1S/C17H15ClN4O3S2/c1-11-20-21-17(26-11)19-16(23)12-5-3-8-15(9-12)27(24,25)22(2)14-7-4-6-13(18)10-14/h3-10H,1-2H3,(H,19,21,23)
InChIKeyRNSNOXSIPCFJAE-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.58
Rot. Bonds5

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

3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2635849) has the molecular formula C17H15ClN4O3S2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2635849
Molecular FormulaC17H15ClN4O3S2
Molecular Weight422.92 g/mol
Exact Mass422.03
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)s1
InChIInChI=1S/C17H15ClN4O3S2/c1-11-20-21-17(26-11)19-16(23)12-5-3-8-15(9-12)27(24,25)22(2)14-7-4-6-13(18)10-14/h3-10H,1-2H3,(H,19,21,23)
InChIKeyRNSNOXSIPCFJAE-UHFFFAOYSA-N
XLogP3.58
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2635849) is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)s1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is RNSNOXSIPCFJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S2/c1-11-20-21-17(26-11)19-16(23)12-5-3-8-15(9-12)27(24,25)22(2)14-7-4-6-13(18)10-14/h3-10H,1-2H3,(H,19,21,23).
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 422.92 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2635849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).