1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide

C16H17F17N2O3S — CID 58855453

IUPAC1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide
SMILESCN(CCN1CCOCC1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H17F17N2O3S/c1-34(2-3-35-4-6-38-7-5-35)39(36,37)16(32,33)14(27,28)12(23,24)10(19,20)8-9(17,18)11(21,22)13(25,26)15(29,30)31/h2-8H2,1H3
InChIKeyLARSEIILKXUBPE-UHFFFAOYSA-N
MW640.36 g/mol
LogP4.94
Rot. Bonds12

About 1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide

1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide (PubChem CID 58855453) has the molecular formula C16H17F17N2O3S and a molecular weight of 640.36 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide
PubChem CID58855453
Molecular FormulaC16H17F17N2O3S
Molecular Weight640.36 g/mol
Exact Mass640.07
IUPAC Name1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide
SMILESCN(CCN1CCOCC1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H17F17N2O3S/c1-34(2-3-35-4-6-38-7-5-35)39(36,37)16(32,33)14(27,28)12(23,24)10(19,20)8-9(17,18)11(21,22)13(25,26)15(29,30)31/h2-8H2,1H3
InChIKeyLARSEIILKXUBPE-UHFFFAOYSA-N
XLogP4.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.36
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide (CID 58855453) is 1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide is CN(CCN1CCOCC1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide?
The InChIKey is LARSEIILKXUBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F17N2O3S/c1-34(2-3-35-4-6-38-7-5-35)39(36,37)16(32,33)14(27,28)12(23,24)10(19,20)8-9(17,18)11(21,22)13(25,26)15(29,30)31/h2-8H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide?
1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide has a molecular weight of 640.36 g/mol, XLogP of 4.94, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide is sourced from PubChem (CID 58855453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).