5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole

C9H7ClN2O2S2 — CID 1473847

IUPAC5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole
SMILESCc1nnsc1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H7ClN2O2S2/c1-6-9(15-12-11-6)16(13,14)8-5-3-2-4-7(8)10/h2-5H,1H3
InChIKeySAGMFMRUCJHBOI-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.33
Rot. Bonds2

About 5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole

5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole (PubChem CID 1473847) has the molecular formula C9H7ClN2O2S2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole
PubChem CID1473847
Molecular FormulaC9H7ClN2O2S2
Molecular Weight274.75 g/mol
Exact Mass273.96
IUPAC Name5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole
SMILESCc1nnsc1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H7ClN2O2S2/c1-6-9(15-12-11-6)16(13,14)8-5-3-2-4-7(8)10/h2-5H,1H3
InChIKeySAGMFMRUCJHBOI-UHFFFAOYSA-N
XLogP2.33
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole 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 5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole?
The IUPAC name of 5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole (CID 1473847) is 5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole?
The canonical SMILES for 5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole is Cc1nnsc1S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole?
The InChIKey is SAGMFMRUCJHBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S2/c1-6-9(15-12-11-6)16(13,14)8-5-3-2-4-7(8)10/h2-5H,1H3.
What are the key properties of 5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole?
5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole has a molecular weight of 274.75 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)sulfonyl-4-methylthiadiazole is sourced from PubChem (CID 1473847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).