1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol

C9H11FN2O3S — CID 107212176

IUPAC1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol
SMILESNc1cc(F)ccc1S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C9H11FN2O3S/c10-6-1-2-9(8(11)3-6)16(14,15)12-4-7(13)5-12/h1-3,7,13H,4-5,11H2
InChIKeyDTWFPOOUQMXBJZ-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.23
Rot. Bonds2

About 1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol

1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol (PubChem CID 107212176) has the molecular formula C9H11FN2O3S and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol
PubChem CID107212176
Molecular FormulaC9H11FN2O3S
Molecular Weight246.26 g/mol
Exact Mass246.05
IUPAC Name1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol
SMILESNc1cc(F)ccc1S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C9H11FN2O3S/c10-6-1-2-9(8(11)3-6)16(14,15)12-4-7(13)5-12/h1-3,7,13H,4-5,11H2
InChIKeyDTWFPOOUQMXBJZ-UHFFFAOYSA-N
XLogP-0.23
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol 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

1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol
CID 107212161
1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
CID 107212187
(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895330
1-(4-fluorophenyl)sulfonylazetidin-3-ol
CID 63106433
1-(2-amino-4-fluorophenyl)sulfonyl-3-propylazetidin-3-ol
CID 107212925
methyl 4-(2-amino-4-fluorophenyl)sulfonylpiperazine-1-carboxylate
CID 61125659
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol
CID 63105517
1-(3-amino-2,4-dimethylphenyl)sulfonylazetidin-3-ol
CID 114240450
4-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542775
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-fluoroaniline
CID 93398177

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol?
The IUPAC name of 1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol (CID 107212176) is 1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol.
What is the SMILES notation for 1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol?
The canonical SMILES for 1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol is Nc1cc(F)ccc1S(=O)(=O)N1CC(O)C1.
What is the InChIKey of 1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol?
The InChIKey is DTWFPOOUQMXBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S/c10-6-1-2-9(8(11)3-6)16(14,15)12-4-7(13)5-12/h1-3,7,13H,4-5,11H2.
What are the key properties of 1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol?
1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol has a molecular weight of 246.26 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol is sourced from PubChem (CID 107212176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).