2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole

C15H12N2O2S2 — CID 42632520

IUPAC2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole
SMILESO=S(=O)(Cc1nnc(-c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C15H12N2O2S2/c18-21(19,13-9-5-2-6-10-13)11-14-16-17-15(20-14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyYZOJXWJXLGZQNQ-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.18
Rot. Bonds4

About 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole

2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole (PubChem CID 42632520) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole
PubChem CID42632520
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole
SMILESO=S(=O)(Cc1nnc(-c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C15H12N2O2S2/c18-21(19,13-9-5-2-6-10-13)11-14-16-17-15(20-14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyYZOJXWJXLGZQNQ-UHFFFAOYSA-N
XLogP3.18
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(benzenesulfonylmethyl)-5-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole (CID 42632520) is 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole is O=S(=O)(Cc1nnc(-c2ccccc2)s1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole?
The InChIKey is YZOJXWJXLGZQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c18-21(19,13-9-5-2-6-10-13)11-14-16-17-15(20-14)12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole?
2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole has a molecular weight of 316.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 42632520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).