5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide

C11H22F4N2O5S2 — CID 118029367

IUPAC5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide
SMILESCCN(CC)CC(CC(F)(F)C(F)(F)S(=O)(=O)NS(C)(=O)=O)OC
InChIInChI=1S/C11H22F4N2O5S2/c1-5-17(6-2)8-9(22-3)7-10(12,13)11(14,15)24(20,21)16-23(4,18)19/h9,16H,5-8H2,1-4H3
InChIKeyFTOACOBOGVYTAC-UHFFFAOYSA-N
MW402.43 g/mol
LogP0.84
Rot. Bonds11

About 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide

5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide (PubChem CID 118029367) has the molecular formula C11H22F4N2O5S2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide.

Molecular Properties

Compound Name5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide
PubChem CID118029367
Molecular FormulaC11H22F4N2O5S2
Molecular Weight402.43 g/mol
Exact Mass402.09
IUPAC Name5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide
SMILESCCN(CC)CC(CC(F)(F)C(F)(F)S(=O)(=O)NS(C)(=O)=O)OC
InChIInChI=1S/C11H22F4N2O5S2/c1-5-17(6-2)8-9(22-3)7-10(12,13)11(14,15)24(20,21)16-23(4,18)19/h9,16H,5-8H2,1-4H3
InChIKeyFTOACOBOGVYTAC-UHFFFAOYSA-N
XLogP0.84
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Propanesulfonic acid, 3-[hexyl[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]-2-hydroxy-, ammonium salt (1:1)
CID 165364250
5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide
CID 118029361
[1-(Diethylamino)-5-(ethylsulfonylsulfamoyl)-4,4,5,5-tetrafluoropentan-2-yl] acetate
CID 118029365
5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
CID 118030875
5-(Diethylamino)-1,1,2,2-tetrafluoro-4-methoxypentane-1-sulfonic acid
CID 118030876
[1-(Diethylamino)-4,4,5,5-tetrafluoro-5-(1,1,2,2,2-pentafluoroethylsulfonylsulfamoyl)pentan-2-yl] acetate
CID 118030878
5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
CID 118030896

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide?
The IUPAC name of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide (CID 118029367) is 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide.
What is the SMILES notation for 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide?
The canonical SMILES for 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide is CCN(CC)CC(CC(F)(F)C(F)(F)S(=O)(=O)NS(C)(=O)=O)OC.
What is the InChIKey of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide?
The InChIKey is FTOACOBOGVYTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F4N2O5S2/c1-5-17(6-2)8-9(22-3)7-10(12,13)11(14,15)24(20,21)16-23(4,18)19/h9,16H,5-8H2,1-4H3.
What are the key properties of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide?
5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide has a molecular weight of 402.43 g/mol, XLogP of 0.84, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-methylsulfonylpentane-1-sulfonamide is sourced from PubChem (CID 118029367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).