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

C15H15F17N2O3S — CID 58855430

IUPAC1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)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/C15H15F17N2O3S/c16-8(17,10(20,21)12(24,25)14(28,29)30)7-9(18,19)11(22,23)13(26,27)15(31,32)38(35,36)33-1-2-34-3-5-37-6-4-34/h33H,1-7H2
InChIKeyUWPCRJXVORXKQJ-UHFFFAOYSA-N
MW626.33 g/mol
LogP4.59
Rot. Bonds12

About 1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-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-(2-morpholin-4-ylethyl)nonane-1-sulfonamide (PubChem CID 58855430) has the molecular formula C15H15F17N2O3S and a molecular weight of 626.33 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-(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-(2-morpholin-4-ylethyl)nonane-1-sulfonamide
PubChem CID58855430
Molecular FormulaC15H15F17N2O3S
Molecular Weight626.33 g/mol
Exact Mass626.05
IUPAC Name1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2-morpholin-4-ylethyl)nonane-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)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/C15H15F17N2O3S/c16-8(17,10(20,21)12(24,25)14(28,29)30)7-9(18,19)11(22,23)13(26,27)15(31,32)38(35,36)33-1-2-34-3-5-37-6-4-34/h33H,1-7H2
InChIKeyUWPCRJXVORXKQJ-UHFFFAOYSA-N
XLogP4.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.33
LogP ≤ 54.59
H-Bond Donors ≤ 51
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-(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-(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-(2-morpholin-4-ylethyl)nonane-1-sulfonamide (CID 58855430) is 1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-heptadecafluoro-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-(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-(2-morpholin-4-ylethyl)nonane-1-sulfonamide is O=S(=O)(NCCN1CCOCC1)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-(2-morpholin-4-ylethyl)nonane-1-sulfonamide?
The InChIKey is UWPCRJXVORXKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F17N2O3S/c16-8(17,10(20,21)12(24,25)14(28,29)30)7-9(18,19)11(22,23)13(26,27)15(31,32)38(35,36)33-1-2-34-3-5-37-6-4-34/h33H,1-7H2.
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-(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-(2-morpholin-4-ylethyl)nonane-1-sulfonamide has a molecular weight of 626.33 g/mol, XLogP of 4.59, 12 rotatable bonds, 1 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-(2-morpholin-4-ylethyl)nonane-1-sulfonamide is sourced from PubChem (CID 58855430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).