3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid

C16H12N2O4S2 — CID 56942025

IUPAC3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)c1
InChIInChI=1S/C16H12N2O4S2/c19-16(20)11-4-3-5-12(10-11)18-24(21,22)15-8-7-14(23-15)13-6-1-2-9-17-13/h1-10,18H,(H,19,20)
InChIKeyRLZARXOPLNNCSF-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.31
Rot. Bonds5

About 3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid

3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid (PubChem CID 56942025) has the molecular formula C16H12N2O4S2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid
PubChem CID56942025
Molecular FormulaC16H12N2O4S2
Molecular Weight360.42 g/mol
Exact Mass360.02
IUPAC Name3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)c1
InChIInChI=1S/C16H12N2O4S2/c19-16(20)11-4-3-5-12(10-11)18-24(21,22)15-8-7-14(23-15)13-6-1-2-9-17-13/h1-10,18H,(H,19,20)
InChIKeyRLZARXOPLNNCSF-UHFFFAOYSA-N
XLogP3.31
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid (CID 56942025) is 3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)c1.
What is the InChIKey of 3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid?
The InChIKey is RLZARXOPLNNCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S2/c19-16(20)11-4-3-5-12(10-11)18-24(21,22)15-8-7-14(23-15)13-6-1-2-9-17-13/h1-10,18H,(H,19,20).
What are the key properties of 3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid?
3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid has a molecular weight of 360.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 56942025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).