3-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid

C7H8BrNO4S2 — CID 136556833

IUPAC3-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1cscc1Br
InChIInChI=1S/C7H8BrNO4S2/c8-5-3-14-4-6(5)15(12,13)9-2-1-7(10)11/h3-4,9H,1-2H2,(H,10,11)
InChIKeyBLRBRNKMTAZDGR-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.26
Rot. Bonds5

About 3-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid

3-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid (PubChem CID 136556833) has the molecular formula C7H8BrNO4S2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid
PubChem CID136556833
Molecular FormulaC7H8BrNO4S2
Molecular Weight314.18 g/mol
Exact Mass312.91
IUPAC Name3-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1cscc1Br
InChIInChI=1S/C7H8BrNO4S2/c8-5-3-14-4-6(5)15(12,13)9-2-1-7(10)11/h3-4,9H,1-2H2,(H,10,11)
InChIKeyBLRBRNKMTAZDGR-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-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid (CID 136556833) is 3-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid is O=C(O)CCNS(=O)(=O)c1cscc1Br.
What is the InChIKey of 3-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid?
The InChIKey is BLRBRNKMTAZDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO4S2/c8-5-3-14-4-6(5)15(12,13)9-2-1-7(10)11/h3-4,9H,1-2H2,(H,10,11).
What are the key properties of 3-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid?
3-[(4-bromothiophen-3-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-[(4-bromothiophen-3-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 136556833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).