N-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide

C10H10FN3O4S — CID 82914561

IUPACN-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide
SMILESN#CCNC(=O)COc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C10H10FN3O4S/c11-7-1-2-8(9(5-7)19(13,16)17)18-6-10(15)14-4-3-12/h1-2,5H,4,6H2,(H,14,15)(H2,13,16,17)
InChIKeyNNDOSTVVOYTKCC-UHFFFAOYSA-N
MW287.27 g/mol
LogP-0.51
Rot. Bonds5

About N-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide

N-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide (PubChem CID 82914561) has the molecular formula C10H10FN3O4S and a molecular weight of 287.27 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide
PubChem CID82914561
Molecular FormulaC10H10FN3O4S
Molecular Weight287.27 g/mol
Exact Mass287.04
IUPAC NameN-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide
SMILESN#CCNC(=O)COc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C10H10FN3O4S/c11-7-1-2-8(9(5-7)19(13,16)17)18-6-10(15)14-4-3-12/h1-2,5H,4,6H2,(H,14,15)(H2,13,16,17)
InChIKeyNNDOSTVVOYTKCC-UHFFFAOYSA-N
XLogP-0.51
TPSA122.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide (CID 82914561) is N-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide is N#CCNC(=O)COc1ccc(F)cc1S(N)(=O)=O.
What is the InChIKey of N-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide?
The InChIKey is NNDOSTVVOYTKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O4S/c11-7-1-2-8(9(5-7)19(13,16)17)18-6-10(15)14-4-3-12/h1-2,5H,4,6H2,(H,14,15)(H2,13,16,17).
What are the key properties of N-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide?
N-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide has a molecular weight of 287.27 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(4-fluoro-2-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 82914561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).