N-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide

C9H20F7N3O6S3 — CID 159754848

IUPACN-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide
SMILESCCCNS(=O)(=O)C(F)(F)C(F)(F)F.CCNS(C)(=O)=O.O=S(=O)(F)NCF
InChIInChI=1S/C5H8F5NO2S.C3H9NO2S.CH3F2NO2S/c1-2-3-11-14(12,13)5(9,10)4(6,7)8;1-3-4-7(2,5)6;2-1-4-7(3,5)6/h11H,2-3H2,1H3;4H,3H2,1-2H3;4H,1H2
InChIKeyNECXGEQAHXGUHZ-UHFFFAOYSA-N
MW495.46 g/mol
LogP0.74
Rot. Bonds8

About N-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide

N-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide (PubChem CID 159754848) has the molecular formula C9H20F7N3O6S3 and a molecular weight of 495.46 g/mol. Its IUPAC name is N-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide.

Molecular Properties

Compound NameN-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide
PubChem CID159754848
Molecular FormulaC9H20F7N3O6S3
Molecular Weight495.46 g/mol
Exact Mass495.04
IUPAC NameN-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide
SMILESCCCNS(=O)(=O)C(F)(F)C(F)(F)F.CCNS(C)(=O)=O.O=S(=O)(F)NCF
InChIInChI=1S/C5H8F5NO2S.C3H9NO2S.CH3F2NO2S/c1-2-3-11-14(12,13)5(9,10)4(6,7)8;1-3-4-7(2,5)6;2-1-4-7(3,5)6/h11H,2-3H2,1H3;4H,3H2,1-2H3;4H,1H2
InChIKeyNECXGEQAHXGUHZ-UHFFFAOYSA-N
XLogP0.74
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.46
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide?
The IUPAC name of N-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide (CID 159754848) is N-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide.
What is the SMILES notation for N-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide?
The canonical SMILES for N-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide is CCCNS(=O)(=O)C(F)(F)C(F)(F)F.CCNS(C)(=O)=O.O=S(=O)(F)NCF.
What is the InChIKey of N-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide?
The InChIKey is NECXGEQAHXGUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5NO2S.C3H9NO2S.CH3F2NO2S/c1-2-3-11-14(12,13)5(9,10)4(6,7)8;1-3-4-7(2,5)6;2-1-4-7(3,5)6/h11H,2-3H2,1H3;4H,3H2,1-2H3;4H,1H2.
What are the key properties of N-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide?
N-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide has a molecular weight of 495.46 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylmethanesulfonamide;N-(fluoromethyl)sulfamoyl fluoride;1,1,2,2,2-pentafluoro-N-propylethanesulfonamide is sourced from PubChem (CID 159754848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).