1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol

C13H17FN2O3S — CID 107212589

IUPAC1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol
SMILESCc1cc(N)cc(S(=O)(=O)N2CC(O)(C3CC3)C2)c1F
InChIInChI=1S/C13H17FN2O3S/c1-8-4-10(15)5-11(12(8)14)20(18,19)16-6-13(17,7-16)9-2-3-9/h4-5,9,17H,2-3,6-7,15H2,1H3
InChIKeyIIIHGBMPNAWCSP-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.86
Rot. Bonds3

About 1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol

1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol (PubChem CID 107212589) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol.

Molecular Properties

Compound Name1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol
PubChem CID107212589
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol
SMILESCc1cc(N)cc(S(=O)(=O)N2CC(O)(C3CC3)C2)c1F
InChIInChI=1S/C13H17FN2O3S/c1-8-4-10(15)5-11(12(8)14)20(18,19)16-6-13(17,7-16)9-2-3-9/h4-5,9,17H,2-3,6-7,15H2,1H3
InChIKeyIIIHGBMPNAWCSP-UHFFFAOYSA-N
XLogP0.86
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.86
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
4-fluoro-3-methyl-5-pyrrolidin-1-ylsulfonylaniline
CID 80646540
1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
CID 81451642
3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-fluoro-5-methylaniline
CID 80645839
3-(2-ethylpiperidin-1-yl)sulfonyl-4-fluoro-5-methylaniline
CID 80646546
1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212534
1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212606
1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096527
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide
CID 80645694
[1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43133136
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 80646267
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,5-diaminophenyl)methanone
CID 107210418

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The IUPAC name of 1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol (CID 107212589) is 1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol.
What is the SMILES notation for 1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The canonical SMILES for 1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol is Cc1cc(N)cc(S(=O)(=O)N2CC(O)(C3CC3)C2)c1F.
What is the InChIKey of 1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The InChIKey is IIIHGBMPNAWCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-8-4-10(15)5-11(12(8)14)20(18,19)16-6-13(17,7-16)9-2-3-9/h4-5,9,17H,2-3,6-7,15H2,1H3.
What are the key properties of 1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol has a molecular weight of 300.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol is sourced from PubChem (CID 107212589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).