2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole

C15H12N2O2S3 — CID 10593873

IUPAC2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccccc1)c1nnc(SCc2ccccc2)s1
InChIInChI=1S/C15H12N2O2S3/c18-22(19,13-9-5-2-6-10-13)15-17-16-14(21-15)20-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyUTYSEELDDGOMBX-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.66
Rot. Bonds5

About 2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole

2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole (PubChem CID 10593873) has the molecular formula C15H12N2O2S3 and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole
PubChem CID10593873
Molecular FormulaC15H12N2O2S3
Molecular Weight348.47 g/mol
Exact Mass348.01
IUPAC Name2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccccc1)c1nnc(SCc2ccccc2)s1
InChIInChI=1S/C15H12N2O2S3/c18-22(19,13-9-5-2-6-10-13)15-17-16-14(21-15)20-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyUTYSEELDDGOMBX-UHFFFAOYSA-N
XLogP3.66
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole 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

2,5-Bis(benzylsulfanyl)-1,3,4-thiadiazole
CID 562783
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 99587722
2-Benzylsulfonyl-5-chloro-1,3,4-thiadiazole
CID 10612415
2-Benzylsulfonyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole
CID 395048
2-[(4-Fluorophenyl)methylsulfonyl]-5-methylsulfonyl-1,3,4-thiadiazole
CID 14748359
2-(Benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole
CID 10571825
2-Benzylsulfanyl-5-[4-(chloromethyl)phenyl]sulfonyl-1,3,4-thiadiazole
CID 139221927
2-Benzylsulfonyl-5-[4-(chloromethyl)phenyl]sulfonyl-1,3,4-thiadiazole
CID 139221928
2-Benzylsulfonyl-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole
CID 10548680
2,5-Bis[(4-methylphenyl)sulfonylsulfanyl]-1,3,4-thiadiazole
CID 18731428
2,5-Bis(benzylsulfonyl)-1,3,4-thiadiazole
CID 20070428
2-Benzylsulfonyl-1,3,4-thiadiazole
CID 21652938

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole (CID 10593873) is 2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole is O=S(=O)(c1ccccc1)c1nnc(SCc2ccccc2)s1.
What is the InChIKey of 2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole?
The InChIKey is UTYSEELDDGOMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S3/c18-22(19,13-9-5-2-6-10-13)15-17-16-14(21-15)20-11-12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole?
2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole has a molecular weight of 348.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 10593873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).