3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid

C10H8N2O4S2 — CID 43443006

IUPAC3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C10H8N2O4S2/c13-10(14)9-8(3-5-17-9)12-18(15,16)7-2-1-4-11-6-7/h1-6,12H,(H,13,14)
InChIKeyLJSWAPQCZCQHGZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.64
Rot. Bonds4

About 3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid

3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid (PubChem CID 43443006) has the molecular formula C10H8N2O4S2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
PubChem CID43443006
Molecular FormulaC10H8N2O4S2
Molecular Weight284.32 g/mol
Exact Mass283.99
IUPAC Name3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C10H8N2O4S2/c13-10(14)9-8(3-5-17-9)12-18(15,16)7-2-1-4-11-6-7/h1-6,12H,(H,13,14)
InChIKeyLJSWAPQCZCQHGZ-UHFFFAOYSA-N
XLogP1.64
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid (CID 43443006) is 3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid is O=C(O)c1sccc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of 3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid?
The InChIKey is LJSWAPQCZCQHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S2/c13-10(14)9-8(3-5-17-9)12-18(15,16)7-2-1-4-11-6-7/h1-6,12H,(H,13,14).
What are the key properties of 3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid?
3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 43443006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).