N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide

C11H16BrClN2O2S — CID 82773914

IUPACN-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide
SMILESCC(NCCNS(C)(=O)=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H16BrClN2O2S/c1-8(14-5-6-15-18(2,16)17)10-4-3-9(12)7-11(10)13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeyAQYUBRGPNMTZHT-UHFFFAOYSA-N
MW355.69 g/mol
LogP2.30
Rot. Bonds6

About N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide

N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide (PubChem CID 82773914) has the molecular formula C11H16BrClN2O2S and a molecular weight of 355.69 g/mol. Its IUPAC name is N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide
PubChem CID82773914
Molecular FormulaC11H16BrClN2O2S
Molecular Weight355.69 g/mol
Exact Mass353.98
IUPAC NameN-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide
SMILESCC(NCCNS(C)(=O)=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H16BrClN2O2S/c1-8(14-5-6-15-18(2,16)17)10-4-3-9(12)7-11(10)13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeyAQYUBRGPNMTZHT-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.69
LogP ≤ 52.30
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

1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82773613
N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide
CID 81333212
N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine
CID 82773597
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 82774647
1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 82773330
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 54906241
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 82774284
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460430
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 82773805
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 82773843
1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 82773429
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 82773319

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide (CID 82773914) is N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide is CC(NCCNS(C)(=O)=O)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide?
The InChIKey is AQYUBRGPNMTZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O2S/c1-8(14-5-6-15-18(2,16)17)10-4-3-9(12)7-11(10)13/h3-4,7-8,14-15H,5-6H2,1-2H3.
What are the key properties of N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide?
N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide has a molecular weight of 355.69 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 82773914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).