N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide

C11H17FN2O3S — CID 54938767

IUPACN-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC(O)c1ccc(F)cc1
InChIInChI=1S/C11H17FN2O3S/c1-18(16,17)14-7-6-13-8-11(15)9-2-4-10(12)5-3-9/h2-5,11,13-15H,6-8H2,1H3
InChIKeyFNIQUCQOBFVEFF-UHFFFAOYSA-N
MW276.33 g/mol
LogP-0.00
Rot. Bonds7

About N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide

N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide (PubChem CID 54938767) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
PubChem CID54938767
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC NameN-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC(O)c1ccc(F)cc1
InChIInChI=1S/C11H17FN2O3S/c1-18(16,17)14-7-6-13-8-11(15)9-2-4-10(12)5-3-9/h2-5,11,13-15H,6-8H2,1H3
InChIKeyFNIQUCQOBFVEFF-UHFFFAOYSA-N
XLogP-0.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
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-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide
CID 60909343
N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938960
N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909620
1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
CID 60714901
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64912479
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 54934596
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide
CID 87016886
1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol
CID 106221436
1-(4-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
CID 114187755
N-[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]methanesulfonamide
CID 69436440

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide (CID 54938767) is N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCC(O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide?
The InChIKey is FNIQUCQOBFVEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-18(16,17)14-7-6-13-8-11(15)9-2-4-10(12)5-3-9/h2-5,11,13-15H,6-8H2,1H3.
What are the key properties of N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide?
N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide has a molecular weight of 276.33 g/mol, XLogP of -0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 54938767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).