(NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide

C21H17N3O2S2 — CID 12686867

IUPAC(NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=c2/nc(-c3ccccc3)n(-c3ccccc3)s2)cc1
InChIInChI=1S/C21H17N3O2S2/c1-16-12-14-19(15-13-16)28(25,26)23-21-22-20(17-8-4-2-5-9-17)24(27-21)18-10-6-3-7-11-18/h2-15H,1H3/b23-21-
InChIKeyWQGBLHRJCQIZCY-LNVKXUELSA-N
MW407.52 g/mol
LogP4.20
Rot. Bonds4

About (NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide

(NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide (PubChem CID 12686867) has the molecular formula C21H17N3O2S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is (NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide
PubChem CID12686867
Molecular FormulaC21H17N3O2S2
Molecular Weight407.52 g/mol
Exact Mass407.08
IUPAC Name(NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=c2/nc(-c3ccccc3)n(-c3ccccc3)s2)cc1
InChIInChI=1S/C21H17N3O2S2/c1-16-12-14-19(15-13-16)28(25,26)23-21-22-20(17-8-4-2-5-9-17)24(27-21)18-10-6-3-7-11-18/h2-15H,1H3/b23-21-
InChIKeyWQGBLHRJCQIZCY-LNVKXUELSA-N
XLogP4.20
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

Analyze (NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide 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

4-methyl-N-(4-oxo-3-phenyl-1,3-thiazetidin-2-ylidene)benzenesulfonamide
CID 5257741
2-(4-methoxyphenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine
CID 10469918
3-(4-methoxyphenyl)-N,2-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
CID 70687827
4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide
CID 70423870
N-cyclopentyl-2-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazol-5-imine
CID 11258552
(NE)-4-methyl-N-[1-(4-methylphenyl)-6-oxo-4,5-diphenyl-5H-pyrimidin-2-ylidene]benzenesulfonamide
CID 10505796
N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 126200501
1-(4-methylphenyl)sulfonyl-3,5-diphenyl-1,2,4-triazole
CID 86233643
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
(NZ)-4-methyl-N-[(4S)-4-(4-methylphenyl)-3,6-diphenyl-4H-1,3-oxazin-2-ylidene]benzenesulfonamide
CID 135008594
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide (CID 12686867) is (NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=c2/nc(-c3ccccc3)n(-c3ccccc3)s2)cc1.
What is the InChIKey of (NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is WQGBLHRJCQIZCY-LNVKXUELSA-N. The full InChI is InChI=1S/C21H17N3O2S2/c1-16-12-14-19(15-13-16)28(25,26)23-21-22-20(17-8-4-2-5-9-17)24(27-21)18-10-6-3-7-11-18/h2-15H,1H3/b23-21-.
What are the key properties of (NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide?
(NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 407.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 12686867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).