2-(1-benzothiophen-3-ylsulfonylamino)acetic acid

C10H9NO4S2 — CID 14676492

IUPAC2-(1-benzothiophen-3-ylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)c1csc2ccccc12
InChIInChI=1S/C10H9NO4S2/c12-10(13)5-11-17(14,15)9-6-16-8-4-2-1-3-7(8)9/h1-4,6,11H,5H2,(H,12,13)
InChIKeyZUZSSESMPKZYAL-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.26
Rot. Bonds4

About 2-(1-benzothiophen-3-ylsulfonylamino)acetic acid

2-(1-benzothiophen-3-ylsulfonylamino)acetic acid (PubChem CID 14676492) has the molecular formula C10H9NO4S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylsulfonylamino)acetic acid
PubChem CID14676492
Molecular FormulaC10H9NO4S2
Molecular Weight271.32 g/mol
Exact Mass271.00
IUPAC Name2-(1-benzothiophen-3-ylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)c1csc2ccccc12
InChIInChI=1S/C10H9NO4S2/c12-10(13)5-11-17(14,15)9-6-16-8-4-2-1-3-7(8)9/h1-4,6,11H,5H2,(H,12,13)
InChIKeyZUZSSESMPKZYAL-UHFFFAOYSA-N
XLogP1.26
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylsulfonylamino)acetic acid?
The IUPAC name of 2-(1-benzothiophen-3-ylsulfonylamino)acetic acid (CID 14676492) is 2-(1-benzothiophen-3-ylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(1-benzothiophen-3-ylsulfonylamino)acetic acid?
The canonical SMILES for 2-(1-benzothiophen-3-ylsulfonylamino)acetic acid is O=C(O)CNS(=O)(=O)c1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-ylsulfonylamino)acetic acid?
The InChIKey is ZUZSSESMPKZYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S2/c12-10(13)5-11-17(14,15)9-6-16-8-4-2-1-3-7(8)9/h1-4,6,11H,5H2,(H,12,13).
What are the key properties of 2-(1-benzothiophen-3-ylsulfonylamino)acetic acid?
2-(1-benzothiophen-3-ylsulfonylamino)acetic acid has a molecular weight of 271.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylsulfonylamino)acetic acid is sourced from PubChem (CID 14676492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).