cyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone

C13H14FNO3S — CID 71809176

IUPACcyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H14FNO3S/c14-10-3-5-11(6-4-10)19(17,18)12-7-15(8-12)13(16)9-1-2-9/h3-6,9,12H,1-2,7-8H2
InChIKeyDJVXDGFCBQVBBZ-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.22
Rot. Bonds3

About cyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone

cyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone (PubChem CID 71809176) has the molecular formula C13H14FNO3S and a molecular weight of 283.32 g/mol. Its IUPAC name is cyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
PubChem CID71809176
Molecular FormulaC13H14FNO3S
Molecular Weight283.32 g/mol
Exact Mass283.07
IUPAC Namecyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H14FNO3S/c14-10-3-5-11(6-4-10)19(17,18)12-7-15(8-12)13(16)9-1-2-9/h3-6,9,12H,1-2,7-8H2
InChIKeyDJVXDGFCBQVBBZ-UHFFFAOYSA-N
XLogP1.22
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone (CID 71809176) is cyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone is O=C(C1CC1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of cyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The InChIKey is DJVXDGFCBQVBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S/c14-10-3-5-11(6-4-10)19(17,18)12-7-15(8-12)13(16)9-1-2-9/h3-6,9,12H,1-2,7-8H2.
What are the key properties of cyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
cyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone has a molecular weight of 283.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone is sourced from PubChem (CID 71809176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).