N-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide

C7H10F9N3O6S3 — CID 23262957

IUPACN-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NC(NS(=O)(=O)CC(F)(F)F)NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C7H10F9N3O6S3/c8-5(9,10)1-26(20,21)17-4(18-27(22,23)2-6(11,12)13)19-28(24,25)3-7(14,15)16/h4,17-19H,1-3H2
InChIKeyQMSZPXFYAVRCBC-UHFFFAOYSA-N
MW499.36 g/mol
LogP-0.28
Rot. Bonds9

About N-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide

N-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide (PubChem CID 23262957) has the molecular formula C7H10F9N3O6S3 and a molecular weight of 499.36 g/mol. Its IUPAC name is N-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide
PubChem CID23262957
Molecular FormulaC7H10F9N3O6S3
Molecular Weight499.36 g/mol
Exact Mass498.96
IUPAC NameN-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NC(NS(=O)(=O)CC(F)(F)F)NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C7H10F9N3O6S3/c8-5(9,10)1-26(20,21)17-4(18-27(22,23)2-6(11,12)13)19-28(24,25)3-7(14,15)16/h4,17-19H,1-3H2
InChIKeyQMSZPXFYAVRCBC-UHFFFAOYSA-N
XLogP-0.28
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[(2,2,2-trifluoroethylsulfonylamino)methyl]ethanesulfonamide
CID 23262839
2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide
CID 22967974
2-(2,2,2-Trifluoroethylsulfamoylamino)ethanesulfonamide
CID 114812421

Frequently Asked Questions

What is the IUPAC name of N-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide (CID 23262957) is N-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide is O=S(=O)(CC(F)(F)F)NC(NS(=O)(=O)CC(F)(F)F)NS(=O)(=O)CC(F)(F)F.
What is the InChIKey of N-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide?
The InChIKey is QMSZPXFYAVRCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F9N3O6S3/c8-5(9,10)1-26(20,21)17-4(18-27(22,23)2-6(11,12)13)19-28(24,25)3-7(14,15)16/h4,17-19H,1-3H2.
What are the key properties of N-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide?
N-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide has a molecular weight of 499.36 g/mol, XLogP of -0.28, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2,2,2-trifluoroethylsulfonylamino)methyl]-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 23262957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).