N,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide

C7F17NO2S — CID 171396698

IUPACN,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide
SMILESO=S(=O)(N(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F17NO2S/c8-1(9,4(14,15)16)2(10,11)7(22,23)28(26,27)25(24)6(20,21)3(12,13)5(17,18)19
InChIKeyKKRQBOOXLLYDIA-UHFFFAOYSA-N
MW485.12 g/mol
LogP4.72
Rot. Bonds6

About N,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide

N,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide (PubChem CID 171396698) has the molecular formula C7F17NO2S and a molecular weight of 485.12 g/mol. Its IUPAC name is N,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide
PubChem CID171396698
Molecular FormulaC7F17NO2S
Molecular Weight485.12 g/mol
Exact Mass484.94
IUPAC NameN,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide
SMILESO=S(=O)(N(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F17NO2S/c8-1(9,4(14,15)16)2(10,11)7(22,23)28(26,27)25(24)6(20,21)3(12,13)5(17,18)19
InChIKeyKKRQBOOXLLYDIA-UHFFFAOYSA-N
XLogP4.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.12
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide?
The IUPAC name of N,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide (CID 171396698) is N,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide.
What is the SMILES notation for N,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide?
The canonical SMILES for N,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide is O=S(=O)(N(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide?
The InChIKey is KKRQBOOXLLYDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F17NO2S/c8-1(9,4(14,15)16)2(10,11)7(22,23)28(26,27)25(24)6(20,21)3(12,13)5(17,18)19.
What are the key properties of N,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide?
N,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide has a molecular weight of 485.12 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,2,2,3,3,4,4,4-decafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)butane-1-sulfonamide is sourced from PubChem (CID 171396698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).