1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-1-sulfonamide

C15H4F29NO2S — CID 163324220

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H4F29NO2S/c1-45-48(46,47)15(43,44)13(38,39)11(34,35)9(30,31)7(26,27)5(22,23)3(18,19)2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)14(40,41)42/h45H,1H3
InChIKeyRHBPMWRRBNRWAE-UHFFFAOYSA-N
MW813.21 g/mol
LogP8.31
Rot. Bonds14

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-1-sulfonamide (PubChem CID 163324220) has the molecular formula C15H4F29NO2S and a molecular weight of 813.21 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-1-sulfonamide
PubChem CID163324220
Molecular FormulaC15H4F29NO2S
Molecular Weight813.21 g/mol
Exact Mass812.95
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H4F29NO2S/c1-45-48(46,47)15(43,44)13(38,39)11(34,35)9(30,31)7(26,27)5(22,23)3(18,19)2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)14(40,41)42/h45H,1H3
InChIKeyRHBPMWRRBNRWAE-UHFFFAOYSA-N
XLogP8.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.21
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-1-sulfonamide with MolForge

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Related Compounds

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N,N-Dimethyl perfluorooctane sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-1-sulfonamide (CID 163324220) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-1-sulfonamide?
The InChIKey is RHBPMWRRBNRWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H4F29NO2S/c1-45-48(46,47)15(43,44)13(38,39)11(34,35)9(30,31)7(26,27)5(22,23)3(18,19)2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)14(40,41)42/h45H,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-1-sulfonamide?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-1-sulfonamide has a molecular weight of 813.21 g/mol, XLogP of 8.31, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluoro-N-methyltetradecane-1-sulfonamide is sourced from PubChem (CID 163324220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).