5-methylsulfonyl-4-phenylthiadiazole

C9H8N2O2S2 — CID 54573949

IUPAC5-methylsulfonyl-4-phenylthiadiazole
SMILESCS(=O)(=O)c1snnc1-c1ccccc1
InChIInChI=1S/C9H8N2O2S2/c1-15(12,13)9-8(10-11-14-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyZZGIMGMEMQVKSK-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.61
Rot. Bonds2

About 5-methylsulfonyl-4-phenylthiadiazole

5-methylsulfonyl-4-phenylthiadiazole (PubChem CID 54573949) has the molecular formula C9H8N2O2S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-methylsulfonyl-4-phenylthiadiazole.

Molecular Properties

Compound Name5-methylsulfonyl-4-phenylthiadiazole
PubChem CID54573949
Molecular FormulaC9H8N2O2S2
Molecular Weight240.31 g/mol
Exact Mass240.00
IUPAC Name5-methylsulfonyl-4-phenylthiadiazole
SMILESCS(=O)(=O)c1snnc1-c1ccccc1
InChIInChI=1S/C9H8N2O2S2/c1-15(12,13)9-8(10-11-14-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyZZGIMGMEMQVKSK-UHFFFAOYSA-N
XLogP1.61
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole
CID 4519824
5-[(2-chlorophenyl)methylsulfonyl]-4-phenylthiadiazole
CID 3841303
4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole
CID 3720994
5-methylsulfonyl-4-phenyl-1,3-thiazol-2-amine
CID 26597941
4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole
CID 639838
5-methylsulfanyl-4-phenylthiadiazole
CID 1473996
5-(bromomethyl)-4-phenylthiadiazole
CID 5325800
2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole
CID 4739110
5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole
CID 67725641
2-(4-phenylthiadiazol-5-yl)isoindole-1,3-dione
CID 2747164
5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole
CID 21435665
5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane
CID 159187156

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-4-phenylthiadiazole?
The IUPAC name of 5-methylsulfonyl-4-phenylthiadiazole (CID 54573949) is 5-methylsulfonyl-4-phenylthiadiazole.
What is the SMILES notation for 5-methylsulfonyl-4-phenylthiadiazole?
The canonical SMILES for 5-methylsulfonyl-4-phenylthiadiazole is CS(=O)(=O)c1snnc1-c1ccccc1.
What is the InChIKey of 5-methylsulfonyl-4-phenylthiadiazole?
The InChIKey is ZZGIMGMEMQVKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S2/c1-15(12,13)9-8(10-11-14-9)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 5-methylsulfonyl-4-phenylthiadiazole?
5-methylsulfonyl-4-phenylthiadiazole has a molecular weight of 240.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-4-phenylthiadiazole is sourced from PubChem (CID 54573949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).