3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole

C9H6Cl2N2O2S2 — CID 1211379

IUPAC3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole
SMILESO=S(=O)(Cc1ccc(Cl)cc1)c1nc(Cl)ns1
InChIInChI=1S/C9H6Cl2N2O2S2/c10-7-3-1-6(2-4-7)5-17(14,15)9-12-8(11)13-16-9/h1-4H,5H2
InChIKeyFXTWSTDRNCUMIK-UHFFFAOYSA-N
MW309.20 g/mol
LogP2.82
Rot. Bonds3

About 3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole

3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole (PubChem CID 1211379) has the molecular formula C9H6Cl2N2O2S2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole
PubChem CID1211379
Molecular FormulaC9H6Cl2N2O2S2
Molecular Weight309.20 g/mol
Exact Mass307.92
IUPAC Name3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole
SMILESO=S(=O)(Cc1ccc(Cl)cc1)c1nc(Cl)ns1
InChIInChI=1S/C9H6Cl2N2O2S2/c10-7-3-1-6(2-4-7)5-17(14,15)9-12-8(11)13-16-9/h1-4H,5H2
InChIKeyFXTWSTDRNCUMIK-UHFFFAOYSA-N
XLogP2.82
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-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 3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole (CID 1211379) is 3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole is O=S(=O)(Cc1ccc(Cl)cc1)c1nc(Cl)ns1.
What is the InChIKey of 3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole?
The InChIKey is FXTWSTDRNCUMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O2S2/c10-7-3-1-6(2-4-7)5-17(14,15)9-12-8(11)13-16-9/h1-4H,5H2.
What are the key properties of 3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole?
3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole has a molecular weight of 309.20 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazole is sourced from PubChem (CID 1211379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).