4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide

C9H15F7N2O3S — CID 88943864

IUPAC4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(C(F)(F)F)C(F)(F)F)NCCCNO
InChIInChI=1S/C9H15F7N2O3S/c10-7(8(11,12)13,9(14,15)16)3-1-6-22(20,21)18-5-2-4-17-19/h17-19H,1-6H2
InChIKeyBAQSDKGYSIOKEO-UHFFFAOYSA-N
MW364.28 g/mol
LogP1.89
Rot. Bonds9

About 4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide

4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide (PubChem CID 88943864) has the molecular formula C9H15F7N2O3S and a molecular weight of 364.28 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide
PubChem CID88943864
Molecular FormulaC9H15F7N2O3S
Molecular Weight364.28 g/mol
Exact Mass364.07
IUPAC Name4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(C(F)(F)F)C(F)(F)F)NCCCNO
InChIInChI=1S/C9H15F7N2O3S/c10-7(8(11,12)13,9(14,15)16)3-1-6-22(20,21)18-5-2-4-17-19/h17-19H,1-6H2
InChIKeyBAQSDKGYSIOKEO-UHFFFAOYSA-N
XLogP1.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide?
The IUPAC name of 4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide (CID 88943864) is 4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide.
What is the SMILES notation for 4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide?
The canonical SMILES for 4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide is O=S(=O)(CCCC(F)(C(F)(F)F)C(F)(F)F)NCCCNO.
What is the InChIKey of 4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide?
The InChIKey is BAQSDKGYSIOKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F7N2O3S/c10-7(8(11,12)13,9(14,15)16)3-1-6-22(20,21)18-5-2-4-17-19/h17-19H,1-6H2.
What are the key properties of 4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide?
4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide has a molecular weight of 364.28 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-N-[3-(hydroxyamino)propyl]-4-(trifluoromethyl)pentane-1-sulfonamide is sourced from PubChem (CID 88943864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).