trifluoromethanesulfonamide;triphenylphosphane

C19H17F3NO2PS — CID 175237720

IUPACtrifluoromethanesulfonamide;triphenylphosphane
SMILESNS(=O)(=O)C(F)(F)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.CH2F3NO2S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7/h1-15H;(H2,5,6,7)
InChIKeySPSDZERECGSRHY-UHFFFAOYSA-N
MW411.39 g/mol
LogP3.24
Rot. Bonds3

About trifluoromethanesulfonamide;triphenylphosphane

trifluoromethanesulfonamide;triphenylphosphane (PubChem CID 175237720) has the molecular formula C19H17F3NO2PS and a molecular weight of 411.39 g/mol. Its IUPAC name is trifluoromethanesulfonamide;triphenylphosphane.

Molecular Properties

Compound Nametrifluoromethanesulfonamide;triphenylphosphane
PubChem CID175237720
Molecular FormulaC19H17F3NO2PS
Molecular Weight411.39 g/mol
Exact Mass411.07
IUPAC Nametrifluoromethanesulfonamide;triphenylphosphane
SMILESNS(=O)(=O)C(F)(F)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.CH2F3NO2S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7/h1-15H;(H2,5,6,7)
InChIKeySPSDZERECGSRHY-UHFFFAOYSA-N
XLogP3.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoromethanesulfonamide;triphenylphosphane?
The IUPAC name of trifluoromethanesulfonamide;triphenylphosphane (CID 175237720) is trifluoromethanesulfonamide;triphenylphosphane.
What is the SMILES notation for trifluoromethanesulfonamide;triphenylphosphane?
The canonical SMILES for trifluoromethanesulfonamide;triphenylphosphane is NS(=O)(=O)C(F)(F)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of trifluoromethanesulfonamide;triphenylphosphane?
The InChIKey is SPSDZERECGSRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.CH2F3NO2S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7/h1-15H;(H2,5,6,7).
What are the key properties of trifluoromethanesulfonamide;triphenylphosphane?
trifluoromethanesulfonamide;triphenylphosphane has a molecular weight of 411.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonamide;triphenylphosphane is sourced from PubChem (CID 175237720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).