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

C8H10BrNO4S2 — CID 43240904

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H10BrNO4S2/c1-5(4-7(11)12)10-16(13,14)8-3-2-6(9)15-8/h2-3,5,10H,4H2,1H3,(H,11,12)
InChIKeyAGKACDLVVFXQJQ-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.65
Rot. Bonds5

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

3-[(5-bromothiophen-2-yl)sulfonylamino]butanoic acid (PubChem CID 43240904) has the molecular formula C8H10BrNO4S2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]butanoic acid
PubChem CID43240904
Molecular FormulaC8H10BrNO4S2
Molecular Weight328.21 g/mol
Exact Mass326.92
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H10BrNO4S2/c1-5(4-7(11)12)10-16(13,14)8-3-2-6(9)15-8/h2-3,5,10H,4H2,1H3,(H,11,12)
InChIKeyAGKACDLVVFXQJQ-UHFFFAOYSA-N
XLogP1.65
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-bromothiophen-2-yl)sulfonylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]butanoic acid?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]butanoic acid (CID 43240904) is 3-[(5-bromothiophen-2-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]butanoic acid is CC(CC(=O)O)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]butanoic acid?
The InChIKey is AGKACDLVVFXQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO4S2/c1-5(4-7(11)12)10-16(13,14)8-3-2-6(9)15-8/h2-3,5,10H,4H2,1H3,(H,11,12).
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]butanoic acid?
3-[(5-bromothiophen-2-yl)sulfonylamino]butanoic acid has a molecular weight of 328.21 g/mol, XLogP of 1.65, 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]butanoic acid is sourced from PubChem (CID 43240904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).