2-(benzenesulfonyl)-5-chloro-1,3,4-thiadiazole

C8H5ClN2O2S2 — CID 10848955

IUPAC2-(benzenesulfonyl)-5-chloro-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccccc1)c1nnc(Cl)s1
InChIInChI=1S/C8H5ClN2O2S2/c9-7-10-11-8(14-7)15(12,13)6-4-2-1-3-5-6/h1-5H
InChIKeyAWNHLQDUMWBAJL-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.02
Rot. Bonds2

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

2-(benzenesulfonyl)-5-chloro-1,3,4-thiadiazole (PubChem CID 10848955) has the molecular formula C8H5ClN2O2S2 and a molecular weight of 260.73 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-chloro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-chloro-1,3,4-thiadiazole
PubChem CID10848955
Molecular FormulaC8H5ClN2O2S2
Molecular Weight260.73 g/mol
Exact Mass259.95
IUPAC Name2-(benzenesulfonyl)-5-chloro-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccccc1)c1nnc(Cl)s1
InChIInChI=1S/C8H5ClN2O2S2/c9-7-10-11-8(14-7)15(12,13)6-4-2-1-3-5-6/h1-5H
InChIKeyAWNHLQDUMWBAJL-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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Related Compounds

2-Benzylsulfonyl-5-chloro-1,3,4-thiadiazole
CID 10612415
5-(4-Fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide
CID 100967613
2-[2-(Benzenesulfonyl)ethylsulfanyl]-1,3,4-thiadiazole
CID 41957918
5-(Benzenesulfonyl)-1,3,4-thiadiazol-2-amine
CID 10562095
2-(Benzenesulfonyl)-1,3,4-thiadiazole
CID 53871545
2-(4-Chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole
CID 67832229
2-(4-Chlorophenyl)sulfonyl-1,3,4-thiadiazole
CID 151114455
2-Chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole
CID 10492601
2,5-Bis(benzenesulfonyl)-1,3,4-thiadiazole
CID 10690260
2-Chloro-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole
CID 10803795
2-[2-(Benzenesulfonyl)ethylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole
CID 37134151
2-[2-(Benzenesulfonyl)ethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 47134763

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-chloro-1,3,4-thiadiazole?
The IUPAC name of 2-(benzenesulfonyl)-5-chloro-1,3,4-thiadiazole (CID 10848955) is 2-(benzenesulfonyl)-5-chloro-1,3,4-thiadiazole.
What is the SMILES notation for 2-(benzenesulfonyl)-5-chloro-1,3,4-thiadiazole?
The canonical SMILES for 2-(benzenesulfonyl)-5-chloro-1,3,4-thiadiazole is O=S(=O)(c1ccccc1)c1nnc(Cl)s1.
What is the InChIKey of 2-(benzenesulfonyl)-5-chloro-1,3,4-thiadiazole?
The InChIKey is AWNHLQDUMWBAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2S2/c9-7-10-11-8(14-7)15(12,13)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2-(benzenesulfonyl)-5-chloro-1,3,4-thiadiazole?
2-(benzenesulfonyl)-5-chloro-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-(benzenesulfonyl)-5-chloro-1,3,4-thiadiazole is sourced from PubChem (CID 10848955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).