N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide

C11H16BrNO4S — CID 166594055

IUPACN-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OCCOC)c(Br)c1
InChIInChI=1S/C11H16BrNO4S/c1-3-18(14,15)13-9-4-5-11(10(12)8-9)17-7-6-16-2/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyCBIWIDCKDAOAMG-UHFFFAOYSA-N
MW338.22 g/mol
LogP2.24
Rot. Bonds7

About N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide

N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide (PubChem CID 166594055) has the molecular formula C11H16BrNO4S and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide
PubChem CID166594055
Molecular FormulaC11H16BrNO4S
Molecular Weight338.22 g/mol
Exact Mass337.00
IUPAC NameN-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OCCOC)c(Br)c1
InChIInChI=1S/C11H16BrNO4S/c1-3-18(14,15)13-9-4-5-11(10(12)8-9)17-7-6-16-2/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyCBIWIDCKDAOAMG-UHFFFAOYSA-N
XLogP2.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-bromo-4-(ethylsulfonylamino)benzoate
CID 172609678
N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 55638935
N-(3-bromo-4-fluorophenyl)ethanesulfonamide
CID 104779628
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
3-bromo-4-(2-methoxyethoxy)benzaldehyde
CID 60698673
N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
CID 79768293
3-bromo-N-[4-[[4-[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]phenyl]methyl]phenyl]-4-(2-methoxyethoxy)benzamide
CID 17357137
ethyl 3-bromo-4-(2-methoxyethoxy)benzoate
CID 11839084
N-[3-(2-methoxyethoxy)-4-(methylaminomethoxy)phenyl]methanesulfonamide
CID 59156673
N-(3-bromo-4-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106067034
N-[6-(2-methoxyethoxy)-3-pyridinyl]propane-1-sulfonamide
CID 64591758
N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 104779607

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide (CID 166594055) is N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(OCCOC)c(Br)c1.
What is the InChIKey of N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide?
The InChIKey is CBIWIDCKDAOAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4S/c1-3-18(14,15)13-9-4-5-11(10(12)8-9)17-7-6-16-2/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide?
N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide has a molecular weight of 338.22 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 166594055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).