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

C8H4Cl2N2O2S2 — CID 10803795

IUPAC2-chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nnc(Cl)s1
InChIInChI=1S/C8H4Cl2N2O2S2/c9-5-1-3-6(4-2-5)16(13,14)8-12-11-7(10)15-8/h1-4H
InChIKeyQXZRTHOYJHOPKO-UHFFFAOYSA-N
MW295.17 g/mol
LogP2.68
Rot. Bonds2

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

2-chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole (PubChem CID 10803795) has the molecular formula C8H4Cl2N2O2S2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole
PubChem CID10803795
Molecular FormulaC8H4Cl2N2O2S2
Molecular Weight295.17 g/mol
Exact Mass293.91
IUPAC Name2-chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nnc(Cl)s1
InChIInChI=1S/C8H4Cl2N2O2S2/c9-5-1-3-6(4-2-5)16(13,14)8-12-11-7(10)15-8/h1-4H
InChIKeyQXZRTHOYJHOPKO-UHFFFAOYSA-N
XLogP2.68
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole (CID 10803795) is 2-chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole is O=S(=O)(c1ccc(Cl)cc1)c1nnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole?
The InChIKey is QXZRTHOYJHOPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O2S2/c9-5-1-3-6(4-2-5)16(13,14)8-12-11-7(10)15-8/h1-4H.
What are the key properties of 2-chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole?
2-chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole has a molecular weight of 295.17 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole is sourced from PubChem (CID 10803795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).