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

C14H10N2O4S3 — CID 10690260

IUPAC2,5-bis(benzenesulfonyl)-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccccc1)c1nnc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C14H10N2O4S3/c17-22(18,11-7-3-1-4-8-11)13-15-16-14(21-13)23(19,20)12-9-5-2-6-10-12/h1-10H
InChIKeyAHEJPQWUBMWTGC-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.20
Rot. Bonds4

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

2,5-bis(benzenesulfonyl)-1,3,4-thiadiazole (PubChem CID 10690260) has the molecular formula C14H10N2O4S3 and a molecular weight of 366.44 g/mol. Its IUPAC name is 2,5-bis(benzenesulfonyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-bis(benzenesulfonyl)-1,3,4-thiadiazole
PubChem CID10690260
Molecular FormulaC14H10N2O4S3
Molecular Weight366.44 g/mol
Exact Mass365.98
IUPAC Name2,5-bis(benzenesulfonyl)-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccccc1)c1nnc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C14H10N2O4S3/c17-22(18,11-7-3-1-4-8-11)13-15-16-14(21-13)23(19,20)12-9-5-2-6-10-12/h1-10H
InChIKeyAHEJPQWUBMWTGC-UHFFFAOYSA-N
XLogP2.20
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Bis(phenylsulfonyl) diazomethane
CID 11001803
2-(Benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole
CID 10593873
1-[Diazo-(4-fluorophenyl)sulfonylmethyl]sulfonyl-4-fluorobenzene
CID 15055466
1-[Benzenesulfonyl(diazo)methyl]sulfonyl-2-fluorobenzene
CID 21938901
1-[Benzenesulfonyl(diazo)methyl]sulfonyl-4-fluorobenzene
CID 21938915
1-[Benzenesulfonyl(diazo)methyl]sulfonyl-3-fluorobenzene
CID 21938923
1-[Diazo-(2-fluorophenyl)sulfonylmethyl]sulfonyl-2-fluorobenzene
CID 177742897
2-(Benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole
CID 10571825
5-(4-Fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide
CID 100967613
2-[2-(Benzenesulfonyl)ethylsulfanyl]-1,3,4-thiadiazole
CID 41957918
2-Benzylsulfonyl-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole
CID 10548680
Bis(benzenesulfonyl)methanediazonium
CID 11515320

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(benzenesulfonyl)-1,3,4-thiadiazole?
The IUPAC name of 2,5-bis(benzenesulfonyl)-1,3,4-thiadiazole (CID 10690260) is 2,5-bis(benzenesulfonyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-bis(benzenesulfonyl)-1,3,4-thiadiazole?
The canonical SMILES for 2,5-bis(benzenesulfonyl)-1,3,4-thiadiazole is O=S(=O)(c1ccccc1)c1nnc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 2,5-bis(benzenesulfonyl)-1,3,4-thiadiazole?
The InChIKey is AHEJPQWUBMWTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S3/c17-22(18,11-7-3-1-4-8-11)13-15-16-14(21-13)23(19,20)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2,5-bis(benzenesulfonyl)-1,3,4-thiadiazole?
2,5-bis(benzenesulfonyl)-1,3,4-thiadiazole has a molecular weight of 366.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(benzenesulfonyl)-1,3,4-thiadiazole is sourced from PubChem (CID 10690260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).