N-(2-aminooxyethyl)-4-bromobenzenesulfonamide

C8H11BrN2O3S — CID 39404275

IUPACN-(2-aminooxyethyl)-4-bromobenzenesulfonamide
SMILESNOCCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H11BrN2O3S/c9-7-1-3-8(4-2-7)15(12,13)11-5-6-14-10/h1-4,11H,5-6,10H2
InChIKeyQZMZMSBWQOSOHW-UHFFFAOYSA-N
MW295.16 g/mol
LogP0.62
Rot. Bonds5

About N-(2-aminooxyethyl)-4-bromobenzenesulfonamide

N-(2-aminooxyethyl)-4-bromobenzenesulfonamide (PubChem CID 39404275) has the molecular formula C8H11BrN2O3S and a molecular weight of 295.16 g/mol. Its IUPAC name is N-(2-aminooxyethyl)-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminooxyethyl)-4-bromobenzenesulfonamide
PubChem CID39404275
Molecular FormulaC8H11BrN2O3S
Molecular Weight295.16 g/mol
Exact Mass293.97
IUPAC NameN-(2-aminooxyethyl)-4-bromobenzenesulfonamide
SMILESNOCCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H11BrN2O3S/c9-7-1-3-8(4-2-7)15(12,13)11-5-6-14-10/h1-4,11H,5-6,10H2
InChIKeyQZMZMSBWQOSOHW-UHFFFAOYSA-N
XLogP0.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61061043
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 110292936
4-bromo-N-(5-chloropentyl)benzenesulfonamide
CID 107322747
2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid
CID 68632814
4-bromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297752
4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605294
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide
CID 46785999

Frequently Asked Questions

What is the IUPAC name of N-(2-aminooxyethyl)-4-bromobenzenesulfonamide?
The IUPAC name of N-(2-aminooxyethyl)-4-bromobenzenesulfonamide (CID 39404275) is N-(2-aminooxyethyl)-4-bromobenzenesulfonamide.
What is the SMILES notation for N-(2-aminooxyethyl)-4-bromobenzenesulfonamide?
The canonical SMILES for N-(2-aminooxyethyl)-4-bromobenzenesulfonamide is NOCCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-(2-aminooxyethyl)-4-bromobenzenesulfonamide?
The InChIKey is QZMZMSBWQOSOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3S/c9-7-1-3-8(4-2-7)15(12,13)11-5-6-14-10/h1-4,11H,5-6,10H2.
What are the key properties of N-(2-aminooxyethyl)-4-bromobenzenesulfonamide?
N-(2-aminooxyethyl)-4-bromobenzenesulfonamide has a molecular weight of 295.16 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminooxyethyl)-4-bromobenzenesulfonamide is sourced from PubChem (CID 39404275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).