methyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate

C11H15FN2O4S — CID 127035856

IUPACmethyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O4S/c1-18-11(15)6-7-13-19(16,17)14-8-9-2-4-10(12)5-3-9/h2-5,13-14H,6-8H2,1H3
InChIKeyXBQOGUAYYLVMFQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.31
Rot. Bonds7

About methyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate

methyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate (PubChem CID 127035856) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate
PubChem CID127035856
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Namemethyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O4S/c1-18-11(15)6-7-13-19(16,17)14-8-9-2-4-10(12)5-3-9/h2-5,13-14H,6-8H2,1H3
InChIKeyXBQOGUAYYLVMFQ-UHFFFAOYSA-N
XLogP0.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate 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 methyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate?
The IUPAC name of methyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate (CID 127035856) is methyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate is COC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of methyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate?
The InChIKey is XBQOGUAYYLVMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-18-11(15)6-7-13-19(16,17)14-8-9-2-4-10(12)5-3-9/h2-5,13-14H,6-8H2,1H3.
What are the key properties of methyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate?
methyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate has a molecular weight of 290.32 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenyl)methylsulfamoylamino]propanoate is sourced from PubChem (CID 127035856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).