azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid

C5H9F3N2O4S — CID 175428876

IUPACazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H8N2O2S.C2HF3O2/c4-8(6,7)5-2-1-3-5;3-2(4,5)1(6)7/h1-3H2,(H2,4,6,7);(H,6,7)
InChIKeyNHBWCNAMNLMXLX-UHFFFAOYSA-N
MW250.20 g/mol
LogP-0.47
Rot. Bonds1

About azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid

azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175428876) has the molecular formula C5H9F3N2O4S and a molecular weight of 250.20 g/mol. Its IUPAC name is azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175428876
Molecular FormulaC5H9F3N2O4S
Molecular Weight250.20 g/mol
Exact Mass250.02
IUPAC Nameazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H8N2O2S.C2HF3O2/c4-8(6,7)5-2-1-3-5;3-2(4,5)1(6)7/h1-3H2,(H2,4,6,7);(H,6,7)
InChIKeyNHBWCNAMNLMXLX-UHFFFAOYSA-N
XLogP-0.47
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Aminoazetidine-1-sulfonamide, trifluoroacetic acid
CID 170914224
N-(difluoromethoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175428870
(Azetidin-1-ylsulfonylamino) 2,2,2-trifluoroacetate
CID 175428874
N-(methoxymethyl)azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175428894
3-Methylazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175890535
3-Fluoroazetidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 176092943

Frequently Asked Questions

What is the IUPAC name of azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid (CID 175428876) is azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid is NS(=O)(=O)N1CCC1.O=C(O)C(F)(F)F.
What is the InChIKey of azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is NHBWCNAMNLMXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2S.C2HF3O2/c4-8(6,7)5-2-1-3-5;3-2(4,5)1(6)7/h1-3H2,(H2,4,6,7);(H,6,7).
What are the key properties of azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 250.20 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-1-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175428876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).