N-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide

C12H15FN2O3S — CID 90513244

IUPACN-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)NCc2ccccc2F)C1
InChIInChI=1S/C12H15FN2O3S/c1-19(17,18)15-7-10(8-15)12(16)14-6-9-4-2-3-5-11(9)13/h2-5,10H,6-8H2,1H3,(H,14,16)
InChIKeyKEUKJBZLPHQGFE-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.33
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide

N-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 90513244) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide
PubChem CID90513244
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC NameN-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)NCc2ccccc2F)C1
InChIInChI=1S/C12H15FN2O3S/c1-19(17,18)15-7-10(8-15)12(16)14-6-9-4-2-3-5-11(9)13/h2-5,10H,6-8H2,1H3,(H,14,16)
InChIKeyKEUKJBZLPHQGFE-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide (CID 90513244) is N-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide is CS(=O)(=O)N1CC(C(=O)NCc2ccccc2F)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is KEUKJBZLPHQGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c1-19(17,18)15-7-10(8-15)12(16)14-6-9-4-2-3-5-11(9)13/h2-5,10H,6-8H2,1H3,(H,14,16).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 90513244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).