2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid

C13H13FN2O4S — CID 79844844

IUPAC2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid
SMILESN#Cc1cc(S(=O)(=O)NC2(CC(=O)O)CCC2)ccc1F
InChIInChI=1S/C13H13FN2O4S/c14-11-3-2-10(6-9(11)8-15)21(19,20)16-13(4-1-5-13)7-12(17)18/h2-3,6,16H,1,4-5,7H2,(H,17,18)
InChIKeyYGEJUOZQILRWIP-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.37
Rot. Bonds5

About 2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid

2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid (PubChem CID 79844844) has the molecular formula C13H13FN2O4S and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid
PubChem CID79844844
Molecular FormulaC13H13FN2O4S
Molecular Weight312.32 g/mol
Exact Mass312.06
IUPAC Name2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid
SMILESN#Cc1cc(S(=O)(=O)NC2(CC(=O)O)CCC2)ccc1F
InChIInChI=1S/C13H13FN2O4S/c14-11-3-2-10(6-9(11)8-15)21(19,20)16-13(4-1-5-13)7-12(17)18/h2-3,6,16H,1,4-5,7H2,(H,17,18)
InChIKeyYGEJUOZQILRWIP-UHFFFAOYSA-N
XLogP1.37
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid 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 2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid (CID 79844844) is 2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid is N#Cc1cc(S(=O)(=O)NC2(CC(=O)O)CCC2)ccc1F.
What is the InChIKey of 2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid?
The InChIKey is YGEJUOZQILRWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S/c14-11-3-2-10(6-9(11)8-15)21(19,20)16-13(4-1-5-13)7-12(17)18/h2-3,6,16H,1,4-5,7H2,(H,17,18).
What are the key properties of 2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid?
2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid has a molecular weight of 312.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79844844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).