5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide

C8H6FN3O4S3 — CID 100967613

IUPAC5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(S(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C8H6FN3O4S3/c9-5-1-3-6(4-2-5)18(13,14)7-11-12-8(17-7)19(10,15)16/h1-4H,(H2,10,15,16)
InChIKeyQBOJEMSGPHCMFQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.16
Rot. Bonds3

About 5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide

5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 100967613) has the molecular formula C8H6FN3O4S3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide
PubChem CID100967613
Molecular FormulaC8H6FN3O4S3
Molecular Weight323.35 g/mol
Exact Mass322.95
IUPAC Name5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(S(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C8H6FN3O4S3/c9-5-1-3-6(4-2-5)18(13,14)7-11-12-8(17-7)19(10,15)16/h1-4H,(H2,10,15,16)
InChIKeyQBOJEMSGPHCMFQ-UHFFFAOYSA-N
XLogP0.16
TPSA120.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-Fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
CID 394906
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
2-[2-(4-Fluorophenyl)sulfonylethylsulfanyl]-1,3,4-thiadiazole
CID 99836920
5-(Benzenesulfonyl)-1,3,4-thiadiazol-2-amine
CID 10562095
2-(Benzenesulfonyl)-1,3,4-thiadiazole
CID 53871545
2,5-Bis(benzenesulfonyl)-1,3,4-thiadiazole
CID 10690260
2-(Benzenesulfonyl)-5-chloro-1,3,4-thiadiazole
CID 10848955
2-[2-(Benzenesulfonyl)ethylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole
CID 37134151
2-[2-(Benzenesulfonyl)ethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 47134763
5-(4-Methylphenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide
CID 100967612

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide (CID 100967613) is 5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide is NS(=O)(=O)c1nnc(S(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is QBOJEMSGPHCMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O4S3/c9-5-1-3-6(4-2-5)18(13,14)7-11-12-8(17-7)19(10,15)16/h1-4H,(H2,10,15,16).
What are the key properties of 5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide?
5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 323.35 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 100967613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).