N-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide

C11H17F7N2O4S2 — CID 59302236

IUPACN-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide
SMILESO=S(=O)(CNC1CCCCC1)NS(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H17F7N2O4S2/c12-9(13,10(14,15)11(16,17)18)6-25(21,22)20-26(23,24)7-19-8-4-2-1-3-5-8/h8,19-20H,1-7H2
InChIKeyIAGUAUJXQXXECN-UHFFFAOYSA-N
MW438.39 g/mol
LogP1.95
Rot. Bonds8

About N-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide

N-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide (PubChem CID 59302236) has the molecular formula C11H17F7N2O4S2 and a molecular weight of 438.39 g/mol. Its IUPAC name is N-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide
PubChem CID59302236
Molecular FormulaC11H17F7N2O4S2
Molecular Weight438.39 g/mol
Exact Mass438.05
IUPAC NameN-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide
SMILESO=S(=O)(CNC1CCCCC1)NS(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H17F7N2O4S2/c12-9(13,10(14,15)11(16,17)18)6-25(21,22)20-26(23,24)7-19-8-4-2-1-3-5-8/h8,19-20H,1-7H2
InChIKeyIAGUAUJXQXXECN-UHFFFAOYSA-N
XLogP1.95
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide?
The IUPAC name of N-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide (CID 59302236) is N-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide.
What is the SMILES notation for N-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide?
The canonical SMILES for N-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide is O=S(=O)(CNC1CCCCC1)NS(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide?
The InChIKey is IAGUAUJXQXXECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F7N2O4S2/c12-9(13,10(14,15)11(16,17)18)6-25(21,22)20-26(23,24)7-19-8-4-2-1-3-5-8/h8,19-20H,1-7H2.
What are the key properties of N-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide?
N-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide has a molecular weight of 438.39 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(cyclohexylamino)methylsulfonyl]-2,2,3,3,4,4,4-heptafluorobutane-1-sulfonamide is sourced from PubChem (CID 59302236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).