[(3-bromothiophen-2-yl)sulfonylamino] acetate

C6H6BrNO4S2 — CID 58302687

IUPAC[(3-bromothiophen-2-yl)sulfonylamino] acetate
SMILESCC(=O)ONS(=O)(=O)c1sccc1Br
InChIInChI=1S/C6H6BrNO4S2/c1-4(9)12-8-14(10,11)6-5(7)2-3-13-6/h2-3,8H,1H3
InChIKeyORJBZOQUNGZWTG-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.27
Rot. Bonds3

About [(3-bromothiophen-2-yl)sulfonylamino] acetate

[(3-bromothiophen-2-yl)sulfonylamino] acetate (PubChem CID 58302687) has the molecular formula C6H6BrNO4S2 and a molecular weight of 300.16 g/mol. Its IUPAC name is [(3-bromothiophen-2-yl)sulfonylamino] acetate.

Molecular Properties

Compound Name[(3-bromothiophen-2-yl)sulfonylamino] acetate
PubChem CID58302687
Molecular FormulaC6H6BrNO4S2
Molecular Weight300.16 g/mol
Exact Mass298.89
IUPAC Name[(3-bromothiophen-2-yl)sulfonylamino] acetate
SMILESCC(=O)ONS(=O)(=O)c1sccc1Br
InChIInChI=1S/C6H6BrNO4S2/c1-4(9)12-8-14(10,11)6-5(7)2-3-13-6/h2-3,8H,1H3
InChIKeyORJBZOQUNGZWTG-UHFFFAOYSA-N
XLogP1.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3-bromothiophen-2-yl)sulfonylamino] acetate 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

3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide
CID 82715135
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
3-bromo-N-(2-methylcyclopropyl)thiophene-2-sulfonamide
CID 62408848
2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113225778
2-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybutanoic acid
CID 62478980
3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid
CID 63408850
3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 55136740
N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide
CID 61061547
3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
CID 64793855
1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81163629
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide
CID 61456223

Frequently Asked Questions

What is the IUPAC name of [(3-bromothiophen-2-yl)sulfonylamino] acetate?
The IUPAC name of [(3-bromothiophen-2-yl)sulfonylamino] acetate (CID 58302687) is [(3-bromothiophen-2-yl)sulfonylamino] acetate.
What is the SMILES notation for [(3-bromothiophen-2-yl)sulfonylamino] acetate?
The canonical SMILES for [(3-bromothiophen-2-yl)sulfonylamino] acetate is CC(=O)ONS(=O)(=O)c1sccc1Br.
What is the InChIKey of [(3-bromothiophen-2-yl)sulfonylamino] acetate?
The InChIKey is ORJBZOQUNGZWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO4S2/c1-4(9)12-8-14(10,11)6-5(7)2-3-13-6/h2-3,8H,1H3.
What are the key properties of [(3-bromothiophen-2-yl)sulfonylamino] acetate?
[(3-bromothiophen-2-yl)sulfonylamino] acetate has a molecular weight of 300.16 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromothiophen-2-yl)sulfonylamino] acetate is sourced from PubChem (CID 58302687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).