1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide

C10H4F19NO2S — CID 163324216

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F19NO2S/c1-30-33(31,32)10(28,29)8(23,24)6(19,20)4(15,16)2(11,12)3(13,14)5(17,18)7(21,22)9(25,26)27/h30H,1H3
InChIKeyHJFPHSXVPLEBIW-UHFFFAOYSA-N
MW563.18 g/mol
LogP5.14
Rot. Bonds9

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide (PubChem CID 163324216) has the molecular formula C10H4F19NO2S and a molecular weight of 563.18 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide
PubChem CID163324216
Molecular FormulaC10H4F19NO2S
Molecular Weight563.18 g/mol
Exact Mass562.97
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F19NO2S/c1-30-33(31,32)10(28,29)8(23,24)6(19,20)4(15,16)2(11,12)3(13,14)5(17,18)7(21,22)9(25,26)27/h30H,1H3
InChIKeyHJFPHSXVPLEBIW-UHFFFAOYSA-N
XLogP5.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.18
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide (CID 163324216) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide is CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide?
The InChIKey is HJFPHSXVPLEBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F19NO2S/c1-30-33(31,32)10(28,29)8(23,24)6(19,20)4(15,16)2(11,12)3(13,14)5(17,18)7(21,22)9(25,26)27/h30H,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide has a molecular weight of 563.18 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-methylnonane-1-sulfonamide is sourced from PubChem (CID 163324216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).