1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C6H6F6N2O4S2 — CID 172749871

IUPAC1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.c1cc[nH]c1
InChIInChI=1S/C4H5N.C2HF6NO4S2/c1-2-4-5-3-1;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-5H;9H
InChIKeyKFMAFGZZZCXUEP-UHFFFAOYSA-N
MW348.25 g/mol
LogP1.29
Rot. Bonds2

About 1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 172749871) has the molecular formula C6H6F6N2O4S2 and a molecular weight of 348.25 g/mol. Its IUPAC name is 1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID172749871
Molecular FormulaC6H6F6N2O4S2
Molecular Weight348.25 g/mol
Exact Mass347.97
IUPAC Name1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.c1cc[nH]c1
InChIInChI=1S/C4H5N.C2HF6NO4S2/c1-2-4-5-3-1;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-5H;9H
InChIKeyKFMAFGZZZCXUEP-UHFFFAOYSA-N
XLogP1.29
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Azane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate)
CID 11006820
azane;osmium(2+);1H-pyrrole;bis(trifluoromethanesulfonate)
CID 135047574
Pyrrole triflate
CID 87792268
1-(Trifluoromethanesulfonyl)-1H-pyrrole
CID 21794795
1,1,2,2,3,3,4,4,4-nonafluoro-N-(1H-pyrrol-3-yl)butane-1-sulfonamide
CID 135008871
CID 138964905
CID 138964905
1H-Pyrrole-2-sulfonamide
CID 18971480
1H-Pyrrole-3-sulfonamide
CID 19693820
1H-Pyrrole, 3-[(trifluoromethyl)sulfonyl]-
CID 18994434
1-(Trifluoromethylsulfinyl)pyrrole
CID 18994437
1-[Bromo(difluoro)methyl]sulfonylpyrrole
CID 21639756
1-[Chloro(difluoro)methyl]sulfonylpyrrole
CID 21639758

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 172749871) is 1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.c1cc[nH]c1.
What is the InChIKey of 1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is KFMAFGZZZCXUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C2HF6NO4S2/c1-2-4-5-3-1;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-5H;9H.
What are the key properties of 1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 348.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 172749871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).