1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide

C8H9F9N2O2S — CID 24796609

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide
SMILESO=S(=O)(N[C@H]1CCNC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9N2O2S/c9-5(10,7(13,14)15)6(11,12)8(16,17)22(20,21)19-4-1-2-18-3-4/h4,18-19H,1-3H2/t4-/m0/s1
InChIKeyRQHCRHFKBPVPMJ-BYPYZUCNSA-N
MW368.22 g/mol
LogP1.69
Rot. Bonds5

About 1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide

1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide (PubChem CID 24796609) has the molecular formula C8H9F9N2O2S and a molecular weight of 368.22 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide
PubChem CID24796609
Molecular FormulaC8H9F9N2O2S
Molecular Weight368.22 g/mol
Exact Mass368.02
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide
SMILESO=S(=O)(N[C@H]1CCNC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9N2O2S/c9-5(10,7(13,14)15)6(11,12)8(16,17)22(20,21)19-4-1-2-18-3-4/h4,18-19H,1-3H2/t4-/m0/s1
InChIKeyRQHCRHFKBPVPMJ-BYPYZUCNSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 51.69
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 1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide (CID 24796609) is 1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide is O=S(=O)(N[C@H]1CCNC1)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-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide?
The InChIKey is RQHCRHFKBPVPMJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H9F9N2O2S/c9-5(10,7(13,14)15)6(11,12)8(16,17)22(20,21)19-4-1-2-18-3-4/h4,18-19H,1-3H2/t4-/m0/s1.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide?
1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide has a molecular weight of 368.22 g/mol, XLogP of 1.69, 5 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-[(3S)-pyrrolidin-3-yl]butane-1-sulfonamide is sourced from PubChem (CID 24796609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).