3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid

C7H8BrNO4S2 — CID 4084126

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid
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)
InChIKeyHOYOGYSUBWGBCP-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.26
Rot. Bonds5

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

3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid (PubChem CID 4084126) has the molecular formula C7H8BrNO4S2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid
PubChem CID4084126
Molecular FormulaC7H8BrNO4S2
Molecular Weight314.18 g/mol
Exact Mass312.91
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid
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)
InChIKeyHOYOGYSUBWGBCP-UHFFFAOYSA-N
XLogP1.26
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid (CID 4084126) is 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid is O=C(O)CCNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid?
The InChIKey is HOYOGYSUBWGBCP-UHFFFAOYSA-N. 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).
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid?
3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid has a molecular weight of 314.18 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 4084126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).