N-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid

C7H11F5N2O5S — CID 175428870

IUPACN-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(NCOC(F)F)N1CCC1
InChIInChI=1S/C5H10F2N2O3S.C2HF3O2/c6-5(7)12-4-8-13(10,11)9-2-1-3-9;3-2(4,5)1(6)7/h5,8H,1-4H2;(H,6,7)
InChIKeyFXFPCTZGOVBWEV-UHFFFAOYSA-N
MW330.23 g/mol
LogP0.36
Rot. Bonds5

About N-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid

N-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175428870) has the molecular formula C7H11F5N2O5S and a molecular weight of 330.23 g/mol. Its IUPAC name is N-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175428870
Molecular FormulaC7H11F5N2O5S
Molecular Weight330.23 g/mol
Exact Mass330.03
IUPAC NameN-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(NCOC(F)F)N1CCC1
InChIInChI=1S/C5H10F2N2O3S.C2HF3O2/c6-5(7)12-4-8-13(10,11)9-2-1-3-9;3-2(4,5)1(6)7/h5,8H,1-4H2;(H,6,7)
InChIKeyFXFPCTZGOVBWEV-UHFFFAOYSA-N
XLogP0.36
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid (CID 175428870) is N-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=S(=O)(NCOC(F)F)N1CCC1.
What is the InChIKey of N-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is FXFPCTZGOVBWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O3S.C2HF3O2/c6-5(7)12-4-8-13(10,11)9-2-1-3-9;3-2(4,5)1(6)7/h5,8H,1-4H2;(H,6,7).
What are the key properties of N-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
N-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 330.23 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175428870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).