2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid

C12H11NO4S2 — CID 121016259

IUPAC2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid
SMILESCS(=O)(=O)N(c1ccccc1)c1sccc1C(=O)O
InChIInChI=1S/C12H11NO4S2/c1-19(16,17)13(9-5-3-2-4-6-9)11-10(12(14)15)7-8-18-11/h2-8H,1H3,(H,14,15)
InChIKeyJUHBBBWNNKEOCP-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.54
Rot. Bonds4

About 2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid

2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid (PubChem CID 121016259) has the molecular formula C12H11NO4S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid
PubChem CID121016259
Molecular FormulaC12H11NO4S2
Molecular Weight297.36 g/mol
Exact Mass297.01
IUPAC Name2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid
SMILESCS(=O)(=O)N(c1ccccc1)c1sccc1C(=O)O
InChIInChI=1S/C12H11NO4S2/c1-19(16,17)13(9-5-3-2-4-6-9)11-10(12(14)15)7-8-18-11/h2-8H,1H3,(H,14,15)
InChIKeyJUHBBBWNNKEOCP-UHFFFAOYSA-N
XLogP2.54
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid (CID 121016259) is 2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid is CS(=O)(=O)N(c1ccccc1)c1sccc1C(=O)O.
What is the InChIKey of 2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid?
The InChIKey is JUHBBBWNNKEOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S2/c1-19(16,17)13(9-5-3-2-4-6-9)11-10(12(14)15)7-8-18-11/h2-8H,1H3,(H,14,15).
What are the key properties of 2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid?
2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)thiophene-3-carboxylic acid is sourced from PubChem (CID 121016259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).