1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide

C12H19FN2O3S — CID 120717949

IUPAC1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
SMILESCOCCNCCNS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C12H19FN2O3S/c1-18-8-7-14-5-6-15-19(16,17)10-11-3-2-4-12(13)9-11/h2-4,9,14-15H,5-8,10H2,1H3
InChIKeyAVCQAROMIGWXCU-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.48
Rot. Bonds9

About 1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide

1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide (PubChem CID 120717949) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
PubChem CID120717949
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
SMILESCOCCNCCNS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C12H19FN2O3S/c1-18-8-7-14-5-6-15-19(16,17)10-11-3-2-4-12(13)9-11/h2-4,9,14-15H,5-8,10H2,1H3
InChIKeyAVCQAROMIGWXCU-UHFFFAOYSA-N
XLogP0.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 120717566
N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide;hydrochloride
CID 120717565
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717866
1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride
CID 119964790
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide
CID 83039199
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride
CID 120717380
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887673
1-(3-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide
CID 56724259
N-[2-(2-methoxyethylamino)ethyl]-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 120717658
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide (CID 120717949) is 1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide is COCCNCCNS(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
The InChIKey is AVCQAROMIGWXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-18-8-7-14-5-6-15-19(16,17)10-11-3-2-4-12(13)9-11/h2-4,9,14-15H,5-8,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 0.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 120717949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).