4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide

C8H14F5NO2S — CID 140997847

IUPAC4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide
SMILESCCCNS(=O)(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H14F5NO2S/c1-2-5-14-17(15,16)6-3-4-7(9,10)8(11,12)13/h14H,2-6H2,1H3
InChIKeyMXPACYOAAFSSFD-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.29
Rot. Bonds7

About 4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide

4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide (PubChem CID 140997847) has the molecular formula C8H14F5NO2S and a molecular weight of 283.26 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide
PubChem CID140997847
Molecular FormulaC8H14F5NO2S
Molecular Weight283.26 g/mol
Exact Mass283.07
IUPAC Name4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide
SMILESCCCNS(=O)(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H14F5NO2S/c1-2-5-14-17(15,16)6-3-4-7(9,10)8(11,12)13/h14H,2-6H2,1H3
InChIKeyMXPACYOAAFSSFD-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Volcano
CID 77797
1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-
CID 111914
N-(3-aminopropyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonamide
CID 49869204
N-ethyl perfluorobutanesulfonamide
CID 14661392
3-[(Perfluorohexanesulfonyl)amino]propane-1-sulfonic acid
CID 139595388
3-[(Perfluoropentanesulfonyl)amino]propane-1-sulfonic acid
CID 139595799
N-Ethyl perfluorohexylsulfonamide
CID 14661393
N-Ethyl perfluoropentane sulfonamide
CID 19931110
N-Ethyl-d5-perfluorooctanesulfonamide
CID 102145672
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

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide?
The IUPAC name of 4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide (CID 140997847) is 4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide.
What is the SMILES notation for 4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide?
The canonical SMILES for 4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide is CCCNS(=O)(=O)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide?
The InChIKey is MXPACYOAAFSSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F5NO2S/c1-2-5-14-17(15,16)6-3-4-7(9,10)8(11,12)13/h14H,2-6H2,1H3.
What are the key properties of 4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide?
4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide has a molecular weight of 283.26 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoro-N-propylpentane-1-sulfonamide is sourced from PubChem (CID 140997847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).