3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

C14H21FN2O2S — CID 91838128

IUPAC3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCC1c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2S/c1-16(2)20(18,19)11-3-9-17-10-8-14(17)12-4-6-13(15)7-5-12/h4-7,14H,3,8-11H2,1-2H3
InChIKeyPVXRACSXSBIKNE-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.85
Rot. Bonds6

About 3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 91838128) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
PubChem CID91838128
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCC1c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2S/c1-16(2)20(18,19)11-3-9-17-10-8-14(17)12-4-6-13(15)7-5-12/h4-7,14H,3,8-11H2,1-2H3
InChIKeyPVXRACSXSBIKNE-UHFFFAOYSA-N
XLogP1.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide (CID 91838128) is 3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1CCC1c1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is PVXRACSXSBIKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-16(2)20(18,19)11-3-9-17-10-8-14(17)12-4-6-13(15)7-5-12/h4-7,14H,3,8-11H2,1-2H3.
What are the key properties of 3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)azetidin-1-yl]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 91838128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).