2-[2-(bromomethylsulfonylamino)phenyl]acetamide

C9H11BrN2O3S — CID 83083723

IUPAC2-[2-(bromomethylsulfonylamino)phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NS(=O)(=O)CBr
InChIInChI=1S/C9H11BrN2O3S/c10-6-16(14,15)12-8-4-2-1-3-7(8)5-9(11)13/h1-4,12H,5-6H2,(H2,11,13)
InChIKeyWNQWBDJPYJOJNN-UHFFFAOYSA-N
MW307.17 g/mol
LogP0.81
Rot. Bonds5

About 2-[2-(bromomethylsulfonylamino)phenyl]acetamide

2-[2-(bromomethylsulfonylamino)phenyl]acetamide (PubChem CID 83083723) has the molecular formula C9H11BrN2O3S and a molecular weight of 307.17 g/mol. Its IUPAC name is 2-[2-(bromomethylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(bromomethylsulfonylamino)phenyl]acetamide
PubChem CID83083723
Molecular FormulaC9H11BrN2O3S
Molecular Weight307.17 g/mol
Exact Mass305.97
IUPAC Name2-[2-(bromomethylsulfonylamino)phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NS(=O)(=O)CBr
InChIInChI=1S/C9H11BrN2O3S/c10-6-16(14,15)12-8-4-2-1-3-7(8)5-9(11)13/h1-4,12H,5-6H2,(H2,11,13)
InChIKeyWNQWBDJPYJOJNN-UHFFFAOYSA-N
XLogP0.81
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(bromomethylsulfonylamino)phenoxy]propanamide
CID 83084188
1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide
CID 83084505
N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide
CID 114327737
2-[2-(propylamino)phenyl]acetamide
CID 43738591
N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromobutanamide
CID 62856321
2-[2-[(2-chloroanilino)methyl]phenyl]acetamide
CID 21235296
2-[2-[(2-chlorophenyl)methylamino]phenyl]acetamide
CID 43738427
N-methyl-2-[2-(sulfamoylamino)phenyl]acetamide
CID 112573434
2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
CID 91115166
4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide
CID 43697115
2-[2-(benzylcarbamoylamino)phenyl]acetamide
CID 51080430
2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide
CID 61317267

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethylsulfonylamino)phenyl]acetamide?
The IUPAC name of 2-[2-(bromomethylsulfonylamino)phenyl]acetamide (CID 83083723) is 2-[2-(bromomethylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for 2-[2-(bromomethylsulfonylamino)phenyl]acetamide?
The canonical SMILES for 2-[2-(bromomethylsulfonylamino)phenyl]acetamide is NC(=O)Cc1ccccc1NS(=O)(=O)CBr.
What is the InChIKey of 2-[2-(bromomethylsulfonylamino)phenyl]acetamide?
The InChIKey is WNQWBDJPYJOJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3S/c10-6-16(14,15)12-8-4-2-1-3-7(8)5-9(11)13/h1-4,12H,5-6H2,(H2,11,13).
What are the key properties of 2-[2-(bromomethylsulfonylamino)phenyl]acetamide?
2-[2-(bromomethylsulfonylamino)phenyl]acetamide has a molecular weight of 307.17 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 83083723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).