2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C8H4F3N3O2S2 — CID 141077080

IUPAC2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1c(F)cc(F)cc1F
InChIInChI=1S/C8H4F3N3O2S2/c9-4-1-5(10)7(6(11)2-4)18(15,16)14-8-12-3-13-17-8/h1-3H,(H,12,13,14)
InChIKeyYEXCMTZSNWDJOB-UHFFFAOYSA-N
MW295.27 g/mol
LogP1.76
Rot. Bonds3

About 2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 141077080) has the molecular formula C8H4F3N3O2S2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID141077080
Molecular FormulaC8H4F3N3O2S2
Molecular Weight295.27 g/mol
Exact Mass294.97
IUPAC Name2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1c(F)cc(F)cc1F
InChIInChI=1S/C8H4F3N3O2S2/c9-4-1-5(10)7(6(11)2-4)18(15,16)14-8-12-3-13-17-8/h1-3H,(H,12,13,14)
InChIKeyYEXCMTZSNWDJOB-UHFFFAOYSA-N
XLogP1.76
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 141077080) is 2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is YEXCMTZSNWDJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2S2/c9-4-1-5(10)7(6(11)2-4)18(15,16)14-8-12-3-13-17-8/h1-3H,(H,12,13,14).
What are the key properties of 2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 295.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 141077080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).