5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid

C16H11FN2O4S2 — CID 10339613

IUPAC5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccn1
InChIInChI=1S/C16H11FN2O4S2/c17-11-6-4-10(5-7-11)13-9-12(15(24-13)16(20)21)19-25(22,23)14-3-1-2-8-18-14/h1-9,19H,(H,20,21)
InChIKeyCQJRGESCDMIWCA-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.45
Rot. Bonds5

About 5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid

5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid (PubChem CID 10339613) has the molecular formula C16H11FN2O4S2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid
PubChem CID10339613
Molecular FormulaC16H11FN2O4S2
Molecular Weight378.41 g/mol
Exact Mass378.01
IUPAC Name5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccn1
InChIInChI=1S/C16H11FN2O4S2/c17-11-6-4-10(5-7-11)13-9-12(15(24-13)16(20)21)19-25(22,23)14-3-1-2-8-18-14/h1-9,19H,(H,20,21)
InChIKeyCQJRGESCDMIWCA-UHFFFAOYSA-N
XLogP3.45
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid (CID 10339613) is 5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid is O=C(O)c1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccn1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid?
The InChIKey is CQJRGESCDMIWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O4S2/c17-11-6-4-10(5-7-11)13-9-12(15(24-13)16(20)21)19-25(22,23)14-3-1-2-8-18-14/h1-9,19H,(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid?
5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid has a molecular weight of 378.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(pyridin-2-ylsulfonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 10339613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).