1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide

C10H13BrClNO3S — CID 83084968

IUPAC1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide
SMILESCN(CCOc1ccccc1Cl)S(=O)(=O)CBr
InChIInChI=1S/C10H13BrClNO3S/c1-13(17(14,15)8-11)6-7-16-10-5-3-2-4-9(10)12/h2-5H,6-8H2,1H3
InChIKeyFQEQZOSVOYWADM-UHFFFAOYSA-N
MW342.64 g/mol
LogP2.33
Rot. Bonds6

About 1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide

1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide (PubChem CID 83084968) has the molecular formula C10H13BrClNO3S and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide
PubChem CID83084968
Molecular FormulaC10H13BrClNO3S
Molecular Weight342.64 g/mol
Exact Mass340.95
IUPAC Name1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide
SMILESCN(CCOc1ccccc1Cl)S(=O)(=O)CBr
InChIInChI=1S/C10H13BrClNO3S/c1-13(17(14,15)8-11)6-7-16-10-5-3-2-4-9(10)12/h2-5H,6-8H2,1H3
InChIKeyFQEQZOSVOYWADM-UHFFFAOYSA-N
XLogP2.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide
CID 107651008
1-bromo-N-[2-(4-fluorophenoxy)ethyl]-N-methylmethanesulfonamide
CID 83093376
2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid
CID 63646826
N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200106
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
5-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 60676187
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949715
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine
CID 2232650
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid
CID 54899208

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide (CID 83084968) is 1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide is CN(CCOc1ccccc1Cl)S(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide?
The InChIKey is FQEQZOSVOYWADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3S/c1-13(17(14,15)8-11)6-7-16-10-5-3-2-4-9(10)12/h2-5H,6-8H2,1H3.
What are the key properties of 1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide?
1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide has a molecular weight of 342.64 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 83084968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).