1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide

C4H2F9NO3S — CID 23645539

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide
SMILESO=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9NO3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)18(16,17)14-15/h14-15H
InChIKeyKTJYZIRNJPDNBW-UHFFFAOYSA-N
MW315.11 g/mol
LogP1.72
Rot. Bonds4

About 1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide

1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide (PubChem CID 23645539) has the molecular formula C4H2F9NO3S and a molecular weight of 315.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide
PubChem CID23645539
Molecular FormulaC4H2F9NO3S
Molecular Weight315.11 g/mol
Exact Mass314.96
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide
SMILESO=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9NO3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)18(16,17)14-15/h14-15H
InChIKeyKTJYZIRNJPDNBW-UHFFFAOYSA-N
XLogP1.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Perfluorobutane sulfonamide
CID 10958205
Heptafluoropropane-1-sulfonamide
CID 21692167
Perfluoropentane sulfonamide
CID 87793813
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonimidic acid
CID 118589680
Sodium perfluorobutane sulfonamide
CID 10958204
Potassium (perfluorobutanesulfonyl)azanide
CID 141294936
1,1,1,2,3,3,3-Heptafluoropropane-2-sulfonamide
CID 12522024
Azane;(1,1,2,2,3,3,4,4,4-nonafluorobutyl-oxo-oxoniumylidene-lambda6-sulfanyl)azanide
CID 170852078
N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide
CID 22033855
CID 88849188
CID 88849188
1,1,1,2,2,3,3,4,4-Nonafluoro-4-(sulfinosulfamoyl)butane
CID 89194170
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonamide;trifluoromethanesulfonic acid
CID 90237619

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide (CID 23645539) is 1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide is O=S(=O)(NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide?
The InChIKey is KTJYZIRNJPDNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F9NO3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)18(16,17)14-15/h14-15H.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide?
1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide has a molecular weight of 315.11 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide is sourced from PubChem (CID 23645539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).