(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide

C14H18F8N3O8S3- — CID 58051963

IUPAC(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide
SMILESO=C(N1CCOCC1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H18F8N3O8S3/c15-11(16,10(26)24-6-8-33-9-7-24)34(27,28)23-35(29,30)13(19,20)12(17,18)14(21,22)36(31,32)25-4-2-1-3-5-25/h1-9H2/q-1
InChIKeyIFNISLCKURCKRC-UHFFFAOYSA-N
MW604.50 g/mol
LogP1.11
Rot. Bonds9

About (1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide

(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide (PubChem CID 58051963) has the molecular formula C14H18F8N3O8S3- and a molecular weight of 604.50 g/mol. Its IUPAC name is (1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide.

Molecular Properties

Compound Name(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide
PubChem CID58051963
Molecular FormulaC14H18F8N3O8S3-
Molecular Weight604.50 g/mol
Exact Mass604.01
IUPAC Name(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide
SMILESO=C(N1CCOCC1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H18F8N3O8S3/c15-11(16,10(26)24-6-8-33-9-7-24)34(27,28)23-35(29,30)13(19,20)12(17,18)14(21,22)36(31,32)25-4-2-1-3-5-25/h1-9H2/q-1
InChIKeyIFNISLCKURCKRC-UHFFFAOYSA-N
XLogP1.11
TPSA149.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.50
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide?
The IUPAC name of (1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide (CID 58051963) is (1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide.
What is the SMILES notation for (1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide?
The canonical SMILES for (1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide is O=C(N1CCOCC1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of (1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide?
The InChIKey is IFNISLCKURCKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F8N3O8S3/c15-11(16,10(26)24-6-8-33-9-7-24)34(27,28)23-35(29,30)13(19,20)12(17,18)14(21,22)36(31,32)25-4-2-1-3-5-25/h1-9H2/q-1.
What are the key properties of (1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide?
(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide has a molecular weight of 604.50 g/mol, XLogP of 1.11, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide is sourced from PubChem (CID 58051963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).