5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide

C10H20F4N2O5S2 — CID 118029361

IUPAC5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide
SMILESCCN(CC)CC(O)CC(F)(F)C(F)(F)S(=O)(=O)NS(C)(=O)=O
InChIInChI=1S/C10H20F4N2O5S2/c1-4-16(5-2)7-8(17)6-9(11,12)10(13,14)23(20,21)15-22(3,18)19/h8,15,17H,4-7H2,1-3H3
InChIKeyTZQVPGNUXGAXNB-UHFFFAOYSA-N
MW388.41 g/mol
LogP0.19
Rot. Bonds10

About 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide

5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide (PubChem CID 118029361) has the molecular formula C10H20F4N2O5S2 and a molecular weight of 388.41 g/mol. Its IUPAC name is 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide.

Molecular Properties

Compound Name5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide
PubChem CID118029361
Molecular FormulaC10H20F4N2O5S2
Molecular Weight388.41 g/mol
Exact Mass388.07
IUPAC Name5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide
SMILESCCN(CC)CC(O)CC(F)(F)C(F)(F)S(=O)(=O)NS(C)(=O)=O
InChIInChI=1S/C10H20F4N2O5S2/c1-4-16(5-2)7-8(17)6-9(11,12)10(13,14)23(20,21)15-22(3,18)19/h8,15,17H,4-7H2,1-3H3
InChIKeyTZQVPGNUXGAXNB-UHFFFAOYSA-N
XLogP0.19
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide?
The IUPAC name of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide (CID 118029361) is 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide.
What is the SMILES notation for 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide?
The canonical SMILES for 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide is CCN(CC)CC(O)CC(F)(F)C(F)(F)S(=O)(=O)NS(C)(=O)=O.
What is the InChIKey of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide?
The InChIKey is TZQVPGNUXGAXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F4N2O5S2/c1-4-16(5-2)7-8(17)6-9(11,12)10(13,14)23(20,21)15-22(3,18)19/h8,15,17H,4-7H2,1-3H3.
What are the key properties of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide?
5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide has a molecular weight of 388.41 g/mol, XLogP of 0.19, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-methylsulfonylpentane-1-sulfonamide is sourced from PubChem (CID 118029361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).