1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol

C12H15FN2O3S — CID 107212606

IUPAC1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
SMILESNc1cccc(F)c1S(=O)(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C12H15FN2O3S/c13-9-2-1-3-10(14)11(9)19(17,18)15-6-12(16,7-15)8-4-5-8/h1-3,8,16H,4-7,14H2
InChIKeyHZAOEKMPMDNUAQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.55
Rot. Bonds3

About 1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol

1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol (PubChem CID 107212606) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
PubChem CID107212606
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
SMILESNc1cccc(F)c1S(=O)(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C12H15FN2O3S/c13-9-2-1-3-10(14)11(9)19(17,18)15-6-12(16,7-15)8-4-5-8/h1-3,8,16H,4-7,14H2
InChIKeyHZAOEKMPMDNUAQ-UHFFFAOYSA-N
XLogP0.55
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212543
(3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895335
2-(4-tert-butylpiperidin-1-yl)sulfonyl-3-fluoroaniline
CID 62090364
3-fluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 63168396
1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212622
1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212589
3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol
CID 114933183
1-[(4-aminophenyl)methylsulfonyl]-3-cyclopropylazetidin-3-ol
CID 107212621
1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 71789660
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The IUPAC name of 1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol (CID 107212606) is 1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol.
What is the SMILES notation for 1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The canonical SMILES for 1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol is Nc1cccc(F)c1S(=O)(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of 1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The InChIKey is HZAOEKMPMDNUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c13-9-2-1-3-10(14)11(9)19(17,18)15-6-12(16,7-15)8-4-5-8/h1-3,8,16H,4-7,14H2.
What are the key properties of 1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol has a molecular weight of 286.33 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol is sourced from PubChem (CID 107212606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).