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

C14H9ClN2O2S2 — CID 10568909

IUPAC2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C14H9ClN2O2S2/c15-11-6-8-12(9-7-11)21(18,19)14-17-16-13(20-14)10-4-2-1-3-5-10/h1-9H
InChIKeyRZCDIIVEGYXQAA-UHFFFAOYSA-N
MW336.83 g/mol
LogP3.69
Rot. Bonds3

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

2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole (PubChem CID 10568909) has the molecular formula C14H9ClN2O2S2 and a molecular weight of 336.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole
PubChem CID10568909
Molecular FormulaC14H9ClN2O2S2
Molecular Weight336.83 g/mol
Exact Mass335.98
IUPAC Name2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C14H9ClN2O2S2/c15-11-6-8-12(9-7-11)21(18,19)14-17-16-13(20-14)10-4-2-1-3-5-10/h1-9H
InChIKeyRZCDIIVEGYXQAA-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 2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole (CID 10568909) is 2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole is O=S(=O)(c1ccc(Cl)cc1)c1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole?
The InChIKey is RZCDIIVEGYXQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S2/c15-11-6-8-12(9-7-11)21(18,19)14-17-16-13(20-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole?
2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole 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 2-(4-chlorophenyl)sulfonyl-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 10568909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).