1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide

C8H4F6N4O4S4 — CID 10322094

IUPAC1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESO=S(=O)(Nc1nc(-c2csc(NS(=O)(=O)C(F)(F)F)n2)cs1)C(F)(F)F
InChIInChI=1S/C8H4F6N4O4S4/c9-7(10,11)25(19,20)17-5-15-3(1-23-5)4-2-24-6(16-4)18-26(21,22)8(12,13)14/h1-2H,(H,15,17)(H,16,18)
InChIKeyMJJSWPXKJRLTDE-UHFFFAOYSA-N
MW462.40 g/mol
LogP2.79
Rot. Bonds5

About 1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide

1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 10322094) has the molecular formula C8H4F6N4O4S4 and a molecular weight of 462.40 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID10322094
Molecular FormulaC8H4F6N4O4S4
Molecular Weight462.40 g/mol
Exact Mass461.90
IUPAC Name1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESO=S(=O)(Nc1nc(-c2csc(NS(=O)(=O)C(F)(F)F)n2)cs1)C(F)(F)F
InChIInChI=1S/C8H4F6N4O4S4/c9-7(10,11)25(19,20)17-5-15-3(1-23-5)4-2-24-6(16-4)18-26(21,22)8(12,13)14/h1-2H,(H,15,17)(H,16,18)
InChIKeyMJJSWPXKJRLTDE-UHFFFAOYSA-N
XLogP2.79
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide (CID 10322094) is 1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide is O=S(=O)(Nc1nc(-c2csc(NS(=O)(=O)C(F)(F)F)n2)cs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is MJJSWPXKJRLTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6N4O4S4/c9-7(10,11)25(19,20)17-5-15-3(1-23-5)4-2-24-6(16-4)18-26(21,22)8(12,13)14/h1-2H,(H,15,17)(H,16,18).
What are the key properties of 1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 462.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 10322094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).