2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole

C9H7ClN2O4S3 — CID 67832229

IUPAC2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole
SMILESCS(=O)(=O)c1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C9H7ClN2O4S3/c1-18(13,14)8-11-12-9(17-8)19(15,16)7-4-2-6(10)3-5-7/h2-5H,1H3
InChIKeyTVVBZBHKVBQUCV-UHFFFAOYSA-N
MW338.82 g/mol
LogP1.43
Rot. Bonds3

About 2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole

2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole (PubChem CID 67832229) has the molecular formula C9H7ClN2O4S3 and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole
PubChem CID67832229
Molecular FormulaC9H7ClN2O4S3
Molecular Weight338.82 g/mol
Exact Mass337.93
IUPAC Name2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole
SMILESCS(=O)(=O)c1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C9H7ClN2O4S3/c1-18(13,14)8-11-12-9(17-8)19(15,16)7-4-2-6(10)3-5-7/h2-5H,1H3
InChIKeyTVVBZBHKVBQUCV-UHFFFAOYSA-N
XLogP1.43
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-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-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole (CID 67832229) is 2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole is CS(=O)(=O)c1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole?
The InChIKey is TVVBZBHKVBQUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O4S3/c1-18(13,14)8-11-12-9(17-8)19(15,16)7-4-2-6(10)3-5-7/h2-5H,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole?
2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole has a molecular weight of 338.82 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole is sourced from PubChem (CID 67832229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).