N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide

C12H15F3N2O3S — CID 122148046

IUPACN-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)C1CN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)11(18)8-17-6-10(7-17)21(19,20)16-9-4-2-1-3-5-9/h1-5,10-11,16,18H,6-8H2
InChIKeyUPBMRCNENVNIOX-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.04
Rot. Bonds5

About N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide

N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide (PubChem CID 122148046) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide.

Molecular Properties

Compound NameN-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide
PubChem CID122148046
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)C1CN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)11(18)8-17-6-10(7-17)21(19,20)16-9-4-2-1-3-5-9/h1-5,10-11,16,18H,6-8H2
InChIKeyUPBMRCNENVNIOX-UHFFFAOYSA-N
XLogP1.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide?
The IUPAC name of N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide (CID 122148046) is N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide.
What is the SMILES notation for N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide?
The canonical SMILES for N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide is O=S(=O)(Nc1ccccc1)C1CN(CC(O)C(F)(F)F)C1.
What is the InChIKey of N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide?
The InChIKey is UPBMRCNENVNIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c13-12(14,15)11(18)8-17-6-10(7-17)21(19,20)16-9-4-2-1-3-5-9/h1-5,10-11,16,18H,6-8H2.
What are the key properties of N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide?
N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide has a molecular weight of 324.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)azetidine-3-sulfonamide is sourced from PubChem (CID 122148046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).