N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide

C6H5F10NO2S — CID 91213921

IUPACN-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide
SMILESCCN(F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F10NO2S/c1-2-17(16)20(18,19)6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3
InChIKeyPTIVTJXZXVWMBN-UHFFFAOYSA-N
MW345.16 g/mol
LogP2.95
Rot. Bonds5

About N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide

N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide (PubChem CID 91213921) has the molecular formula C6H5F10NO2S and a molecular weight of 345.16 g/mol. Its IUPAC name is N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide
PubChem CID91213921
Molecular FormulaC6H5F10NO2S
Molecular Weight345.16 g/mol
Exact Mass344.99
IUPAC NameN-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide
SMILESCCN(F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F10NO2S/c1-2-17(16)20(18,19)6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3
InChIKeyPTIVTJXZXVWMBN-UHFFFAOYSA-N
XLogP2.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl perfluorobutanesulfonamide
CID 14661392
N-Ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
CID 17856182
N-ethyl perfluoropropane sulfonamide
CID 129294817
N-bromo-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 11761307
N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 134928622
N-ethyl-N,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane-1-sulfonamide
CID 14288542
1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)-N-methylethanesulfonamide
CID 57711940
1,1,2,2,2-Pentafluoroethylsulfonyl(2,2,3,3,3-pentafluoropropyl)azanide
CID 57935454
N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 58152789
Propyl(trifluoromethylsulfonyl)azanide
CID 58427689
Methyl(1,1,3,3-tetrafluoropropylsulfonyl)azanide;rubidium(1+)
CID 58436062
2-Fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
CID 59713179

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide?
The IUPAC name of N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide (CID 91213921) is N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide.
What is the SMILES notation for N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide?
The canonical SMILES for N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide is CCN(F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide?
The InChIKey is PTIVTJXZXVWMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F10NO2S/c1-2-17(16)20(18,19)6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3.
What are the key properties of N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide?
N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide has a molecular weight of 345.16 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide is sourced from PubChem (CID 91213921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).