2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid

C12H11NO4S2 — CID 16777972

IUPAC2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C12H11NO4S2/c14-12(15)11(9-5-2-1-3-6-9)13-19(16,17)10-7-4-8-18-10/h1-8,11,13H,(H,14,15)
InChIKeyMQRAXDIFYJBZCA-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.85
Rot. Bonds5

About 2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid

2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid (PubChem CID 16777972) has the molecular formula C12H11NO4S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid
PubChem CID16777972
Molecular FormulaC12H11NO4S2
Molecular Weight297.36 g/mol
Exact Mass297.01
IUPAC Name2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C12H11NO4S2/c14-12(15)11(9-5-2-1-3-6-9)13-19(16,17)10-7-4-8-18-10/h1-8,11,13H,(H,14,15)
InChIKeyMQRAXDIFYJBZCA-UHFFFAOYSA-N
XLogP1.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid?
The IUPAC name of 2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid (CID 16777972) is 2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid.
What is the SMILES notation for 2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid?
The canonical SMILES for 2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid is O=C(O)C(NS(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid?
The InChIKey is MQRAXDIFYJBZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S2/c14-12(15)11(9-5-2-1-3-6-9)13-19(16,17)10-7-4-8-18-10/h1-8,11,13H,(H,14,15).
What are the key properties of 2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid?
2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid has a molecular weight of 297.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(thiophen-2-ylsulfonylamino)acetic acid is sourced from PubChem (CID 16777972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).