3-[2-(bromomethylsulfonylamino)phenoxy]propanamide

C10H13BrN2O4S — CID 83084188

IUPAC3-[2-(bromomethylsulfonylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NS(=O)(=O)CBr
InChIInChI=1S/C10H13BrN2O4S/c11-7-18(15,16)13-8-3-1-2-4-9(8)17-6-5-10(12)14/h1-4,13H,5-7H2,(H2,12,14)
InChIKeyCYTKXGIFFKVWMT-UHFFFAOYSA-N
MW337.20 g/mol
LogP1.03
Rot. Bonds7

About 3-[2-(bromomethylsulfonylamino)phenoxy]propanamide

3-[2-(bromomethylsulfonylamino)phenoxy]propanamide (PubChem CID 83084188) has the molecular formula C10H13BrN2O4S and a molecular weight of 337.20 g/mol. Its IUPAC name is 3-[2-(bromomethylsulfonylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-(bromomethylsulfonylamino)phenoxy]propanamide
PubChem CID83084188
Molecular FormulaC10H13BrN2O4S
Molecular Weight337.20 g/mol
Exact Mass335.98
IUPAC Name3-[2-(bromomethylsulfonylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NS(=O)(=O)CBr
InChIInChI=1S/C10H13BrN2O4S/c11-7-18(15,16)13-8-3-1-2-4-9(8)17-6-5-10(12)14/h1-4,13H,5-7H2,(H2,12,14)
InChIKeyCYTKXGIFFKVWMT-UHFFFAOYSA-N
XLogP1.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid
CID 43715705
3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide
CID 55768562
2-[2-(bromomethylsulfonylamino)phenyl]acetamide
CID 83083723
3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide
CID 60534328
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide
CID 66407426
3-(2-aminophenoxy)propanamide
CID 39869131
3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide
CID 43729736
2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
3-[2-(heptan-4-ylamino)phenoxy]propanamide
CID 43729781

Frequently Asked Questions

What is the IUPAC name of 3-[2-(bromomethylsulfonylamino)phenoxy]propanamide?
The IUPAC name of 3-[2-(bromomethylsulfonylamino)phenoxy]propanamide (CID 83084188) is 3-[2-(bromomethylsulfonylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[2-(bromomethylsulfonylamino)phenoxy]propanamide?
The canonical SMILES for 3-[2-(bromomethylsulfonylamino)phenoxy]propanamide is NC(=O)CCOc1ccccc1NS(=O)(=O)CBr.
What is the InChIKey of 3-[2-(bromomethylsulfonylamino)phenoxy]propanamide?
The InChIKey is CYTKXGIFFKVWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4S/c11-7-18(15,16)13-8-3-1-2-4-9(8)17-6-5-10(12)14/h1-4,13H,5-7H2,(H2,12,14).
What are the key properties of 3-[2-(bromomethylsulfonylamino)phenoxy]propanamide?
3-[2-(bromomethylsulfonylamino)phenoxy]propanamide has a molecular weight of 337.20 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(bromomethylsulfonylamino)phenoxy]propanamide is sourced from PubChem (CID 83084188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).