2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide

C18H17ClN4O3S3 — CID 2484826

IUPAC2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCSc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)s1
InChIInChI=1S/C18H17ClN4O3S3/c1-3-27-18-22-21-17(28-18)20-16(24)14-11-13(9-10-15(14)19)29(25,26)23(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,20,21,24)
InChIKeyFWGKDIWFPSWMMO-UHFFFAOYSA-N
MW469.01 g/mol
LogP4.38
Rot. Bonds7

About 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide

2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2484826) has the molecular formula C18H17ClN4O3S3 and a molecular weight of 469.01 g/mol. Its IUPAC name is 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2484826
Molecular FormulaC18H17ClN4O3S3
Molecular Weight469.01 g/mol
Exact Mass468.02
IUPAC Name2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCSc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)s1
InChIInChI=1S/C18H17ClN4O3S3/c1-3-27-18-22-21-17(28-18)20-16(24)14-11-13(9-10-15(14)19)29(25,26)23(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,20,21,24)
InChIKeyFWGKDIWFPSWMMO-UHFFFAOYSA-N
XLogP4.38
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(benzenesulfonamido)-2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100677926
2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2174228
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4803183
2-chloro-5-(diethylsulfamoyl)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 16550788
2-chloro-5-(diethylsulfamoyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4787976
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[methyl(methylsulfonyl)amino]benzamide
CID 100711277
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2114843
1-N,2-N-bis(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzene-1,2-dicarboxamide
CID 3636543
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 26068552
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 78794689
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-[methyl(methylsulfonyl)amino]benzamide
CID 100646698
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(N-methylsulfonylanilino)propanamide
CID 133162007

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide (CID 2484826) is 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide is CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)s1.
What is the InChIKey of 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is FWGKDIWFPSWMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S3/c1-3-27-18-22-21-17(28-18)20-16(24)14-11-13(9-10-15(14)19)29(25,26)23(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,20,21,24).
What are the key properties of 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide?
2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 469.01 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2484826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).