1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide

C30H45F15N2O4S — CID 165365481

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCCCN1CC(CN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC1=O
InChIInChI=1S/C30H45F15N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-47-21-22(51-23(47)48)20-46(2)52(49,50)30(44,45)28(39,40)26(35,36)24(31,32)25(33,34)27(37,38)29(41,42)43/h22H,3-21H2,1-2H3
InChIKeyGFIBJGAFWBYNAT-UHFFFAOYSA-N
MW814.74 g/mol
LogP10.66
Rot. Bonds26

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide (PubChem CID 165365481) has the molecular formula C30H45F15N2O4S and a molecular weight of 814.74 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide
PubChem CID165365481
Molecular FormulaC30H45F15N2O4S
Molecular Weight814.74 g/mol
Exact Mass814.29
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCCCN1CC(CN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC1=O
InChIInChI=1S/C30H45F15N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-47-21-22(51-23(47)48)20-46(2)52(49,50)30(44,45)28(39,40)26(35,36)24(31,32)25(33,34)27(37,38)29(41,42)43/h22H,3-21H2,1-2H3
InChIKeyGFIBJGAFWBYNAT-UHFFFAOYSA-N
XLogP10.66
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.74
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide (CID 165365481) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide is CCCCCCCCCCCCCCCCCCN1CC(CN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC1=O.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide?
The InChIKey is GFIBJGAFWBYNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45F15N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-47-21-22(51-23(47)48)20-46(2)52(49,50)30(44,45)28(39,40)26(35,36)24(31,32)25(33,34)27(37,38)29(41,42)43/h22H,3-21H2,1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide has a molecular weight of 814.74 g/mol, XLogP of 10.66, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide is sourced from PubChem (CID 165365481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).