[N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite

C11H22F3NO4S2 — CID 20705426

IUPAC[N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite
SMILESCCCCCCCCCCS(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C11H22F3NO4S2/c1-2-3-4-5-6-7-8-9-10-20(16,17)15-21(18,19-14)11(12)13/h11H,2-10H2,1H3
InChIKeyPGZKLSDGTNOXQQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.96
Rot. Bonds12

About [N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite

[N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite (PubChem CID 20705426) has the molecular formula C11H22F3NO4S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite
PubChem CID20705426
Molecular FormulaC11H22F3NO4S2
Molecular Weight353.43 g/mol
Exact Mass353.09
IUPAC Name[N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite
SMILESCCCCCCCCCCS(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C11H22F3NO4S2/c1-2-3-4-5-6-7-8-9-10-20(16,17)15-21(18,19-14)11(12)13/h11H,2-10H2,1H3
InChIKeyPGZKLSDGTNOXQQ-UHFFFAOYSA-N
XLogP3.96
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The IUPAC name of [N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite (CID 20705426) is [N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite.
What is the SMILES notation for [N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The canonical SMILES for [N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite is CCCCCCCCCCS(=O)(=O)N=S(=O)(OF)C(F)F.
What is the InChIKey of [N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The InChIKey is PGZKLSDGTNOXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO4S2/c1-2-3-4-5-6-7-8-9-10-20(16,17)15-21(18,19-14)11(12)13/h11H,2-10H2,1H3.
What are the key properties of [N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
[N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite has a molecular weight of 353.43 g/mol, XLogP of 3.96, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [N-decylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite is sourced from PubChem (CID 20705426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).