1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine

C23H20F4N2O2S — CID 22171705

IUPAC1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine
SMILESO=S(O)N(Cc1cc(F)cc(F)c1)C1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C23H20F4N2O2S/c24-18-5-1-16(2-6-18)23(17-3-7-19(25)8-4-17)28-13-22(14-28)29(32(30)31)12-15-9-20(26)11-21(27)10-15/h1-11,22-23H,12-14H2,(H,30,31)
InChIKeyJILRNHRVLDQIAB-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.66
Rot. Bonds7

About 1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine

1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine (PubChem CID 22171705) has the molecular formula C23H20F4N2O2S and a molecular weight of 464.48 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine
PubChem CID22171705
Molecular FormulaC23H20F4N2O2S
Molecular Weight464.48 g/mol
Exact Mass464.12
IUPAC Name1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine
SMILESO=S(O)N(Cc1cc(F)cc(F)c1)C1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C23H20F4N2O2S/c24-18-5-1-16(2-6-18)23(17-3-7-19(25)8-4-17)28-13-22(14-28)29(32(30)31)12-15-9-20(26)11-21(27)10-15/h1-11,22-23H,12-14H2,(H,30,31)
InChIKeyJILRNHRVLDQIAB-UHFFFAOYSA-N
XLogP4.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine (CID 22171705) is 1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine is O=S(O)N(Cc1cc(F)cc(F)c1)C1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine?
The InChIKey is JILRNHRVLDQIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N2O2S/c24-18-5-1-16(2-6-18)23(17-3-7-19(25)8-4-17)28-13-22(14-28)29(32(30)31)12-15-9-20(26)11-21(27)10-15/h1-11,22-23H,12-14H2,(H,30,31).
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine?
1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine has a molecular weight of 464.48 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl-sulfinoamino]azetidine is sourced from PubChem (CID 22171705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).