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

C8H5ClN2O2S2 — CID 151114455

IUPAC2-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nncs1
InChIInChI=1S/C8H5ClN2O2S2/c9-6-1-3-7(4-2-6)15(12,13)8-11-10-5-14-8/h1-5H
InChIKeyMQVXENVWLKTCTP-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.02
Rot. Bonds2

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

2-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole (PubChem CID 151114455) has the molecular formula C8H5ClN2O2S2 and a molecular weight of 260.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole
PubChem CID151114455
Molecular FormulaC8H5ClN2O2S2
Molecular Weight260.73 g/mol
Exact Mass259.95
IUPAC Name2-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nncs1
InChIInChI=1S/C8H5ClN2O2S2/c9-6-1-3-7(4-2-6)15(12,13)8-11-10-5-14-8/h1-5H
InChIKeyMQVXENVWLKTCTP-UHFFFAOYSA-N
XLogP2.02
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.02
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-1,3,4-thiadiazole?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole (CID 151114455) is 2-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole is O=S(=O)(c1ccc(Cl)cc1)c1nncs1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole?
The InChIKey is MQVXENVWLKTCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2S2/c9-6-1-3-7(4-2-6)15(12,13)8-11-10-5-14-8/h1-5H.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole?
2-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole has a molecular weight of 260.73 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole is sourced from PubChem (CID 151114455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).