N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide

C11H15BrN2O3S — CID 83086978

IUPACN-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NS(=O)(=O)CBr)c1
InChIInChI=1S/C11H15BrN2O3S/c1-8(14-18(16,17)7-12)10-4-3-5-11(6-10)13-9(2)15/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyYTQSGUIQLNDAJT-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.98
Rot. Bonds5

About N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide

N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide (PubChem CID 83086978) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide
PubChem CID83086978
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC NameN-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NS(=O)(=O)CBr)c1
InChIInChI=1S/C11H15BrN2O3S/c1-8(14-18(16,17)7-12)10-4-3-5-11(6-10)13-9(2)15/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyYTQSGUIQLNDAJT-UHFFFAOYSA-N
XLogP1.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide
CID 95626014
1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 83086983
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide
CID 99819845
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[3-[1-(morpholin-4-ylsulfonylamino)ethyl]phenyl]acetamide
CID 46595994
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
CID 103779662
ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate
CID 55598192
N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide
CID 55627714

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide (CID 83086978) is N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NS(=O)(=O)CBr)c1.
What is the InChIKey of N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide?
The InChIKey is YTQSGUIQLNDAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-8(14-18(16,17)7-12)10-4-3-5-11(6-10)13-9(2)15/h3-6,8,14H,7H2,1-2H3,(H,13,15).
What are the key properties of N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide?
N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide has a molecular weight of 335.22 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 83086978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).