N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide

C6H9BrN2O3S2 — CID 39423764

IUPACN-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
SMILESNOCCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C6H9BrN2O3S2/c7-5-1-2-6(13-5)14(10,11)9-3-4-12-8/h1-2,9H,3-4,8H2
InChIKeyAOPMIOHVQFINOP-UHFFFAOYSA-N
MW301.19 g/mol
LogP0.68
Rot. Bonds5

About N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide

N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide (PubChem CID 39423764) has the molecular formula C6H9BrN2O3S2 and a molecular weight of 301.19 g/mol. Its IUPAC name is N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
PubChem CID39423764
Molecular FormulaC6H9BrN2O3S2
Molecular Weight301.19 g/mol
Exact Mass299.92
IUPAC NameN-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
SMILESNOCCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C6H9BrN2O3S2/c7-5-1-2-6(13-5)14(10,11)9-3-4-12-8/h1-2,9H,3-4,8H2
InChIKeyAOPMIOHVQFINOP-UHFFFAOYSA-N
XLogP0.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide 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-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide
CID 61031743
5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 3488993
5-bromo-N-[3-(2-methoxyethoxy)propyl]thiophene-2-sulfonamide
CID 51249234
3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
CID 4084125
5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 106158682
5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2229391
N-(2-aminooxyethyl)thiophene-2-sulfonamide
CID 39245279
N-(2-aminooxyethyl)-4-bromobenzenesulfonamide
CID 39404275
5-bromothiophene-2-sulfonohydrazide
CID 23464136
5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 115638717
5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721147
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide
CID 61060598

Frequently Asked Questions

What is the IUPAC name of N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide?
The IUPAC name of N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide (CID 39423764) is N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide?
The canonical SMILES for N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide is NOCCNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide?
The InChIKey is AOPMIOHVQFINOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O3S2/c7-5-1-2-6(13-5)14(10,11)9-3-4-12-8/h1-2,9H,3-4,8H2.
What are the key properties of N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide?
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide has a molecular weight of 301.19 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide is sourced from PubChem (CID 39423764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).