[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide

C7H10F5N2O4S2- — CID 140677494

IUPAC[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide
SMILESO=S(=O)([N-]C(F)(F)F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C7H10F5N2O4S2/c8-6(9,10)13-19(15,16)7(11,12)20(17,18)14-4-2-1-3-5-14/h1-5H2/q-1
InChIKeyRZWQPASFQHYSLZ-UHFFFAOYSA-N
MW345.29 g/mol
LogP1.58
Rot. Bonds4

About [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide

[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide (PubChem CID 140677494) has the molecular formula C7H10F5N2O4S2- and a molecular weight of 345.29 g/mol. Its IUPAC name is [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide.

Molecular Properties

Compound Name[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide
PubChem CID140677494
Molecular FormulaC7H10F5N2O4S2-
Molecular Weight345.29 g/mol
Exact Mass345.00
IUPAC Name[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide
SMILESO=S(=O)([N-]C(F)(F)F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C7H10F5N2O4S2/c8-6(9,10)13-19(15,16)7(11,12)20(17,18)14-4-2-1-3-5-14/h1-5H2/q-1
InChIKeyRZWQPASFQHYSLZ-UHFFFAOYSA-N
XLogP1.58
TPSA85.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide?
The IUPAC name of [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide (CID 140677494) is [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide.
What is the SMILES notation for [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide?
The canonical SMILES for [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide is O=S(=O)([N-]C(F)(F)F)C(F)(F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide?
The InChIKey is RZWQPASFQHYSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5N2O4S2/c8-6(9,10)13-19(15,16)7(11,12)20(17,18)14-4-2-1-3-5-14/h1-5H2/q-1.
What are the key properties of [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide?
[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide has a molecular weight of 345.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide is sourced from PubChem (CID 140677494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).