N-butyl-1,1,2,2,2-pentafluoroethanesulfonamide

C6H10F5NO2S — CID 129294810

IUPACN-butyl-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESCCCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H10F5NO2S/c1-2-3-4-12-15(13,14)6(10,11)5(7,8)9/h12H,2-4H2,1H3
InChIKeyBXNXWOURMRMKTN-UHFFFAOYSA-N
MW255.21 g/mol
LogP1.86
Rot. Bonds5

About N-butyl-1,1,2,2,2-pentafluoroethanesulfonamide

N-butyl-1,1,2,2,2-pentafluoroethanesulfonamide (PubChem CID 129294810) has the molecular formula C6H10F5NO2S and a molecular weight of 255.21 g/mol. Its IUPAC name is N-butyl-1,1,2,2,2-pentafluoroethanesulfonamide.

Molecular Properties

Compound NameN-butyl-1,1,2,2,2-pentafluoroethanesulfonamide
PubChem CID129294810
Molecular FormulaC6H10F5NO2S
Molecular Weight255.21 g/mol
Exact Mass255.04
IUPAC NameN-butyl-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESCCCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H10F5NO2S/c1-2-3-4-12-15(13,14)6(10,11)5(7,8)9/h12H,2-4H2,1H3
InChIKeyBXNXWOURMRMKTN-UHFFFAOYSA-N
XLogP1.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl perfluorobutanesulfonamide
CID 14661392
N-Ethyl perfluorohexylsulfonamide
CID 14661393
N-Ethyl perfluoropentane sulfonamide
CID 19931110
N-Propyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 14512906
N-Butylperfluorooctane-1-sulfonamide
CID 22149415
N-Hexylperfluorobutanesulfonamide
CID 85868528
N-Butyl-perfluorobutanesulfonamide
CID 86068657
N-Hexyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 22352711
N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
Propyl perfluorohexane sulfonamide
CID 19931112
N-Ethylperfluoroethanesulfonamide
CID 44717412

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,1,2,2,2-pentafluoroethanesulfonamide?
The IUPAC name of N-butyl-1,1,2,2,2-pentafluoroethanesulfonamide (CID 129294810) is N-butyl-1,1,2,2,2-pentafluoroethanesulfonamide.
What is the SMILES notation for N-butyl-1,1,2,2,2-pentafluoroethanesulfonamide?
The canonical SMILES for N-butyl-1,1,2,2,2-pentafluoroethanesulfonamide is CCCCNS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-butyl-1,1,2,2,2-pentafluoroethanesulfonamide?
The InChIKey is BXNXWOURMRMKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5NO2S/c1-2-3-4-12-15(13,14)6(10,11)5(7,8)9/h12H,2-4H2,1H3.
What are the key properties of N-butyl-1,1,2,2,2-pentafluoroethanesulfonamide?
N-butyl-1,1,2,2,2-pentafluoroethanesulfonamide has a molecular weight of 255.21 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,1,2,2,2-pentafluoroethanesulfonamide is sourced from PubChem (CID 129294810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).