2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid

C13H16FNO4S — CID 79845804

IUPAC2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)Cc2ccc(F)cc2)CCC1
InChIInChI=1S/C13H16FNO4S/c14-11-4-2-10(3-5-11)9-20(18,19)15-13(6-1-7-13)8-12(16)17/h2-5,15H,1,6-9H2,(H,16,17)
InChIKeyQRJMYTLCNVMNFA-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.64
Rot. Bonds6

About 2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid

2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid (PubChem CID 79845804) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid
PubChem CID79845804
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)Cc2ccc(F)cc2)CCC1
InChIInChI=1S/C13H16FNO4S/c14-11-4-2-10(3-5-11)9-20(18,19)15-13(6-1-7-13)8-12(16)17/h2-5,15H,1,6-9H2,(H,16,17)
InChIKeyQRJMYTLCNVMNFA-UHFFFAOYSA-N
XLogP1.64
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid (CID 79845804) is 2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid is O=C(O)CC1(NS(=O)(=O)Cc2ccc(F)cc2)CCC1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid?
The InChIKey is QRJMYTLCNVMNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c14-11-4-2-10(3-5-11)9-20(18,19)15-13(6-1-7-13)8-12(16)17/h2-5,15H,1,6-9H2,(H,16,17).
What are the key properties of 2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid?
2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid has a molecular weight of 301.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).