1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide

C9H13F7N2O3S — CID 58855486

IUPAC1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F7N2O3S/c10-7(11,8(12,13)14)9(15,16)22(19,20)17-1-2-18-3-5-21-6-4-18/h17H,1-6H2
InChIKeyKULGCPUUIAWLMQ-UHFFFAOYSA-N
MW362.27 g/mol
LogP1.03
Rot. Bonds6

About 1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide

1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide (PubChem CID 58855486) has the molecular formula C9H13F7N2O3S and a molecular weight of 362.27 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide
PubChem CID58855486
Molecular FormulaC9H13F7N2O3S
Molecular Weight362.27 g/mol
Exact Mass362.05
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F7N2O3S/c10-7(11,8(12,13)14)9(15,16)22(19,20)17-1-2-18-3-5-21-6-4-18/h17H,1-6H2
InChIKeyKULGCPUUIAWLMQ-UHFFFAOYSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide (CID 58855486) is 1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide is O=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide?
The InChIKey is KULGCPUUIAWLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F7N2O3S/c10-7(11,8(12,13)14)9(15,16)22(19,20)17-1-2-18-3-5-21-6-4-18/h17H,1-6H2.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide?
1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide has a molecular weight of 362.27 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide is sourced from PubChem (CID 58855486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).