1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide

C12H13F11N2O3S — CID 58855441

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H13F11N2O3S/c13-7(14)8(15,16)10(19,20)12(23,11(21,22)9(7,17)18)29(26,27)24-1-2-25-3-5-28-6-4-25/h24H,1-6H2
InChIKeyBNQNMFHFWAXVBI-UHFFFAOYSA-N
MW474.29 g/mol
LogP2.09
Rot. Bonds5

About 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide (PubChem CID 58855441) has the molecular formula C12H13F11N2O3S and a molecular weight of 474.29 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide
PubChem CID58855441
Molecular FormulaC12H13F11N2O3S
Molecular Weight474.29 g/mol
Exact Mass474.05
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H13F11N2O3S/c13-7(14)8(15,16)10(19,20)12(23,11(21,22)9(7,17)18)29(26,27)24-1-2-25-3-5-28-6-4-25/h24H,1-6H2
InChIKeyBNQNMFHFWAXVBI-UHFFFAOYSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110316594
N-(2-morpholin-4-ylethyl)pyrrolidine-3-sulfonamide
CID 65421126
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
4-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine
CID 117007742
4-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]morpholine
CID 139839803
2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride
CID 53314568
4-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine
CID 117007578
2-morpholin-4-ylethylhydrazine;oxalic acid
CID 46741446
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973648
N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide
CID 107088893
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide (CID 58855441) is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide is O=S(=O)(NCCN1CCOCC1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide?
The InChIKey is BNQNMFHFWAXVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F11N2O3S/c13-7(14)8(15,16)10(19,20)12(23,11(21,22)9(7,17)18)29(26,27)24-1-2-25-3-5-28-6-4-25/h24H,1-6H2.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide?
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide has a molecular weight of 474.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-sulfonamide is sourced from PubChem (CID 58855441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).