2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide

C13H19FN2O5S — CID 100814318

IUPAC2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
SMILESCOCCNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O5S/c1-16(2)13(17)9-21-12-5-4-10(8-11(12)14)22(18,19)15-6-7-20-3/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyMZUKWACNMLDPHJ-UHFFFAOYSA-N
MW334.37 g/mol
LogP0.22
Rot. Bonds8

About 2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide

2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide (PubChem CID 100814318) has the molecular formula C13H19FN2O5S and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
PubChem CID100814318
Molecular FormulaC13H19FN2O5S
Molecular Weight334.37 g/mol
Exact Mass334.10
IUPAC Name2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
SMILESCOCCNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O5S/c1-16(2)13(17)9-21-12-5-4-10(8-11(12)14)22(18,19)15-6-7-20-3/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyMZUKWACNMLDPHJ-UHFFFAOYSA-N
XLogP0.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110758038
2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
CID 100814211
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039010
4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 110300909
N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035449
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758209
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82844098
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 107650446
3-(aminomethyl)-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 28716684

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide (CID 100814318) is 2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide is COCCNS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide?
The InChIKey is MZUKWACNMLDPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O5S/c1-16(2)13(17)9-21-12-5-4-10(8-11(12)14)22(18,19)15-6-7-20-3/h4-5,8,15H,6-7,9H2,1-3H3.
What are the key properties of 2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide?
2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide has a molecular weight of 334.37 g/mol, XLogP of 0.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 100814318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).