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

C15H12N2O4S3 — CID 10571825

IUPAC2-(benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole
SMILESO=S(=O)(Cc1ccccc1)c1nnc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C15H12N2O4S3/c18-23(19,11-12-7-3-1-4-8-12)14-16-17-15(22-14)24(20,21)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyKLOCIUFWTWMABK-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.34
Rot. Bonds5

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

2-(benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole (PubChem CID 10571825) has the molecular formula C15H12N2O4S3 and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole
PubChem CID10571825
Molecular FormulaC15H12N2O4S3
Molecular Weight380.47 g/mol
Exact Mass380.00
IUPAC Name2-(benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole
SMILESO=S(=O)(Cc1ccccc1)c1nnc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C15H12N2O4S3/c18-23(19,11-12-7-3-1-4-8-12)14-16-17-15(22-14)24(20,21)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyKLOCIUFWTWMABK-UHFFFAOYSA-N
XLogP2.34
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 99587722
Bis(P-toluenesulfonyl)diazomethane
CID 11024549
2-(Benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole
CID 10593873
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-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
1,1'-[(Diazomethylene)disulfonyl]bis(2-methylbenzene)
CID 15055463
[Benzylsulfonyl(diazo)methyl]sulfonylmethylbenzene
CID 18504475
2,5-Bis[(4-methylphenyl)sulfonylsulfanyl]-1,3,4-thiadiazole
CID 18731428

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole?
The IUPAC name of 2-(benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole (CID 10571825) is 2-(benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole is O=S(=O)(Cc1ccccc1)c1nnc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 2-(benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole?
The InChIKey is KLOCIUFWTWMABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S3/c18-23(19,11-12-7-3-1-4-8-12)14-16-17-15(22-14)24(20,21)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 2-(benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole?
2-(benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole has a molecular weight of 380.47 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole is sourced from PubChem (CID 10571825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).