N-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C17H10F9NO2S — CID 102224997

IUPACN-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESO=S(=O)(NC1c2ccccc2-c2ccccc21)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H10F9NO2S/c18-14(19,16(22,23)24)15(20,21)17(25,26)30(28,29)27-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13,27H
InChIKeyOKVMPJLVUQKHCA-UHFFFAOYSA-N
MW463.32 g/mol
LogP5.10
Rot. Bonds5

About N-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

N-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 102224997) has the molecular formula C17H10F9NO2S and a molecular weight of 463.32 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID102224997
Molecular FormulaC17H10F9NO2S
Molecular Weight463.32 g/mol
Exact Mass463.03
IUPAC NameN-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESO=S(=O)(NC1c2ccccc2-c2ccccc21)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H10F9NO2S/c18-14(19,16(22,23)24)15(20,21)17(25,26)30(28,29)27-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13,27H
InChIKeyOKVMPJLVUQKHCA-UHFFFAOYSA-N
XLogP5.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.32
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 102224997) is N-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is O=S(=O)(NC1c2ccccc2-c2ccccc21)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is OKVMPJLVUQKHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F9NO2S/c18-14(19,16(22,23)24)15(20,21)17(25,26)30(28,29)27-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13,27H.
What are the key properties of N-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 463.32 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-yl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 102224997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).