1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene

C10H15FN2O3S — CID 35617109

IUPAC1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
SMILESCN(C)S(=O)(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C10H15FN2O3S/c1-13(2)17(14,15)12-7-8-16-10-5-3-9(11)4-6-10/h3-6,12H,7-8H2,1-2H3
InChIKeyPKKNRUFORTVJNX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.60
Rot. Bonds6

About 1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene

1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene (PubChem CID 35617109) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
PubChem CID35617109
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
SMILESCN(C)S(=O)(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C10H15FN2O3S/c1-13(2)17(14,15)12-7-8-16-10-5-3-9(11)4-6-10/h3-6,12H,7-8H2,1-2H3
InChIKeyPKKNRUFORTVJNX-UHFFFAOYSA-N
XLogP0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene
CID 113100115
3-(dimethylsulfamoylamino)propoxybenzene
CID 35331180
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 39372778
3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine
CID 110627344
1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 113099671
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 47320480
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 30365742
2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene
CID 113101153
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene (CID 35617109) is 1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene is CN(C)S(=O)(=O)NCCOc1ccc(F)cc1.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene?
The InChIKey is PKKNRUFORTVJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-13(2)17(14,15)12-7-8-16-10-5-3-9(11)4-6-10/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene?
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene has a molecular weight of 262.31 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene is sourced from PubChem (CID 35617109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).