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

C14H9ClN2O2S2 — CID 4519824

IUPAC5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole
SMILESO=S(=O)(c1ccccc1Cl)c1snnc1-c1ccccc1
InChIInChI=1S/C14H9ClN2O2S2/c15-11-8-4-5-9-12(11)21(18,19)14-13(16-17-20-14)10-6-2-1-3-7-10/h1-9H
InChIKeyQLAIQDFOXVLJIY-UHFFFAOYSA-N
MW336.83 g/mol
LogP3.69
Rot. Bonds3

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

5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole (PubChem CID 4519824) has the molecular formula C14H9ClN2O2S2 and a molecular weight of 336.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole
PubChem CID4519824
Molecular FormulaC14H9ClN2O2S2
Molecular Weight336.83 g/mol
Exact Mass335.98
IUPAC Name5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole
SMILESO=S(=O)(c1ccccc1Cl)c1snnc1-c1ccccc1
InChIInChI=1S/C14H9ClN2O2S2/c15-11-8-4-5-9-12(11)21(18,19)14-13(16-17-20-14)10-6-2-1-3-7-10/h1-9H
InChIKeyQLAIQDFOXVLJIY-UHFFFAOYSA-N
XLogP3.69
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole?
The IUPAC name of 5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole (CID 4519824) is 5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole?
The canonical SMILES for 5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole is O=S(=O)(c1ccccc1Cl)c1snnc1-c1ccccc1.
What is the InChIKey of 5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole?
The InChIKey is QLAIQDFOXVLJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S2/c15-11-8-4-5-9-12(11)21(18,19)14-13(16-17-20-14)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole?
5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole has a molecular weight of 336.83 g/mol, XLogP of 3.69, 3 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-phenylthiadiazole is sourced from PubChem (CID 4519824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).