1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene

C9H13FN2O3S — CID 112686090

IUPAC1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene
SMILESCN(CCOc1cccc(F)c1)S(N)(=O)=O
InChIInChI=1S/C9H13FN2O3S/c1-12(16(11,13)14)5-6-15-9-4-2-3-8(10)7-9/h2-4,7H,5-6H2,1H3,(H2,11,13,14)
InChIKeyQUZWKKWSSKOUOP-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.34
Rot. Bonds5

About 1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene

1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene (PubChem CID 112686090) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene.

Molecular Properties

Compound Name1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene
PubChem CID112686090
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene
SMILESCN(CCOc1cccc(F)c1)S(N)(=O)=O
InChIInChI=1S/C9H13FN2O3S/c1-12(16(11,13)14)5-6-15-9-4-2-3-8(10)7-9/h2-4,7H,5-6H2,1H3,(H2,11,13,14)
InChIKeyQUZWKKWSSKOUOP-UHFFFAOYSA-N
XLogP0.34
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
CID 47286834
4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
CID 63307611
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 56790971
1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
CID 52619425
3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
2-[2-(3-fluorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 55839888
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831526
2-(1-aminocyclopentyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 64679568
2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide
CID 60946637
2-(cyclopropylamino)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 54872660
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741689

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene?
The IUPAC name of 1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene (CID 112686090) is 1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene.
What is the SMILES notation for 1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene?
The canonical SMILES for 1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene is CN(CCOc1cccc(F)c1)S(N)(=O)=O.
What is the InChIKey of 1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene?
The InChIKey is QUZWKKWSSKOUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-12(16(11,13)14)5-6-15-9-4-2-3-8(10)7-9/h2-4,7H,5-6H2,1H3,(H2,11,13,14).
What are the key properties of 1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene?
1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene has a molecular weight of 248.28 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene is sourced from PubChem (CID 112686090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).