N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide

C11H16BrFN2O2S — CID 81333212

IUPACN-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide
SMILESCC(NCCNS(C)(=O)=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H16BrFN2O2S/c1-8(14-5-6-15-18(2,16)17)10-7-9(12)3-4-11(10)13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeySNWKEBHJFDSUIS-UHFFFAOYSA-N
MW339.23 g/mol
LogP1.79
Rot. Bonds6

About N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide

N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide (PubChem CID 81333212) has the molecular formula C11H16BrFN2O2S and a molecular weight of 339.23 g/mol. Its IUPAC name is N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide
PubChem CID81333212
Molecular FormulaC11H16BrFN2O2S
Molecular Weight339.23 g/mol
Exact Mass338.01
IUPAC NameN-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide
SMILESCC(NCCNS(C)(=O)=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H16BrFN2O2S/c1-8(14-5-6-15-18(2,16)17)10-7-9(12)3-4-11(10)13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeySNWKEBHJFDSUIS-UHFFFAOYSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide
CID 82773914
3-[1-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963033
N-[1-(5-bromo-2-fluorophenyl)ethyl]-7-methyloctan-1-amine
CID 82962730
1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 82961644
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 82963868
2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
CID 82964590
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 115721526
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
CID 81307148
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 81302054
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 81296835
3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 81334397

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide (CID 81333212) is N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide is CC(NCCNS(C)(=O)=O)c1cc(Br)ccc1F.
What is the InChIKey of N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide?
The InChIKey is SNWKEBHJFDSUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O2S/c1-8(14-5-6-15-18(2,16)17)10-7-9(12)3-4-11(10)13/h3-4,7-8,14-15H,5-6H2,1-2H3.
What are the key properties of N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide?
N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide has a molecular weight of 339.23 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 81333212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).