1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol

C12H14F2N2O3S — CID 107212543

IUPAC1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
SMILESNc1cc(F)c(S(=O)(=O)N2CC(O)(C3CC3)C2)c(F)c1
InChIInChI=1S/C12H14F2N2O3S/c13-9-3-8(15)4-10(14)11(9)20(18,19)16-5-12(17,6-16)7-1-2-7/h3-4,7,17H,1-2,5-6,15H2
InChIKeyOBWYUPMUNIMVAY-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.69
Rot. Bonds3

About 1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol

1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol (PubChem CID 107212543) has the molecular formula C12H14F2N2O3S and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
PubChem CID107212543
Molecular FormulaC12H14F2N2O3S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
SMILESNc1cc(F)c(S(=O)(=O)N2CC(O)(C3CC3)C2)c(F)c1
InChIInChI=1S/C12H14F2N2O3S/c13-9-3-8(15)4-10(14)11(9)20(18,19)16-5-12(17,6-16)7-1-2-7/h3-4,7,17H,1-2,5-6,15H2
InChIKeyOBWYUPMUNIMVAY-UHFFFAOYSA-N
XLogP0.69
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The IUPAC name of 1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol (CID 107212543) is 1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol.
What is the SMILES notation for 1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The canonical SMILES for 1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol is Nc1cc(F)c(S(=O)(=O)N2CC(O)(C3CC3)C2)c(F)c1.
What is the InChIKey of 1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The InChIKey is OBWYUPMUNIMVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3S/c13-9-3-8(15)4-10(14)11(9)20(18,19)16-5-12(17,6-16)7-1-2-7/h3-4,7,17H,1-2,5-6,15H2.
What are the key properties of 1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol has a molecular weight of 304.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol is sourced from PubChem (CID 107212543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).