3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate

C7H7BrNO4S2- — CID 4084125

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
SMILESO=C([O-])CCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C7H8BrNO4S2/c8-5-1-2-7(14-5)15(12,13)9-4-3-6(10)11/h1-2,9H,3-4H2,(H,10,11)/p-1
InChIKeyHOYOGYSUBWGBCP-UHFFFAOYSA-M
MW313.17 g/mol
LogP-0.07
Rot. Bonds5

About 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate

3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate (PubChem CID 4084125) has the molecular formula C7H7BrNO4S2- and a molecular weight of 313.17 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
PubChem CID4084125
Molecular FormulaC7H7BrNO4S2-
Molecular Weight313.17 g/mol
Exact Mass311.90
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
SMILESO=C([O-])CCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C7H8BrNO4S2/c8-5-1-2-7(14-5)15(12,13)9-4-3-6(10)11/h1-2,9H,3-4H2,(H,10,11)/p-1
InChIKeyHOYOGYSUBWGBCP-UHFFFAOYSA-M
XLogP-0.07
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide
CID 61060598
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide
CID 5240506
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 4194172
5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721147
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 115638717
5-bromo-N-[3-(2-methoxyethoxy)propyl]thiophene-2-sulfonamide
CID 51249234
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 106158682
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 62305247

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate (CID 4084125) is 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate is O=C([O-])CCNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate?
The InChIKey is HOYOGYSUBWGBCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8BrNO4S2/c8-5-1-2-7(14-5)15(12,13)9-4-3-6(10)11/h1-2,9H,3-4H2,(H,10,11)/p-1.
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate?
3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate has a molecular weight of 313.17 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate is sourced from PubChem (CID 4084125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).