2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide

C17H11F17N2O3S — CID 10841903

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C17H11F17N2O3S/c18-10(19,9(37)36-6-5-7-1-3-8(4-2-7)40(35,38)39)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-4H,5-6H2,(H,36,37)(H2,35,38,39)
InChIKeyBMMHZWGVPJWRIZ-UHFFFAOYSA-N
MW646.32 g/mol
LogP5.00
Rot. Bonds11

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide (PubChem CID 10841903) has the molecular formula C17H11F17N2O3S and a molecular weight of 646.32 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide
PubChem CID10841903
Molecular FormulaC17H11F17N2O3S
Molecular Weight646.32 g/mol
Exact Mass646.02
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C17H11F17N2O3S/c18-10(19,9(37)36-6-5-7-1-3-8(4-2-7)40(35,38)39)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-4H,5-6H2,(H,36,37)(H2,35,38,39)
InChIKeyBMMHZWGVPJWRIZ-UHFFFAOYSA-N
XLogP5.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.32
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide (CID 10841903) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide is NS(=O)(=O)c1ccc(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide?
The InChIKey is BMMHZWGVPJWRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F17N2O3S/c18-10(19,9(37)36-6-5-7-1-3-8(4-2-7)40(35,38)39)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-4H,5-6H2,(H,36,37)(H2,35,38,39).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide has a molecular weight of 646.32 g/mol, XLogP of 5.00, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[2-(4-sulfamoylphenyl)ethyl]nonanamide is sourced from PubChem (CID 10841903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).