5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

C11H9FN2O4S2 — CID 103298683

IUPAC5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ncccc2F)sc1C(=O)O
InChIInChI=1S/C11H9FN2O4S2/c1-6-5-8(19-9(6)11(15)16)14-20(17,18)10-7(12)3-2-4-13-10/h2-5,14H,1H3,(H,15,16)
InChIKeyANXBAXIHMRSQOS-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.09
Rot. Bonds4

About 5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (PubChem CID 103298683) has the molecular formula C11H9FN2O4S2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
PubChem CID103298683
Molecular FormulaC11H9FN2O4S2
Molecular Weight316.34 g/mol
Exact Mass316.00
IUPAC Name5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ncccc2F)sc1C(=O)O
InChIInChI=1S/C11H9FN2O4S2/c1-6-5-8(19-9(6)11(15)16)14-20(17,18)10-7(12)3-2-4-13-10/h2-5,14H,1H3,(H,15,16)
InChIKeyANXBAXIHMRSQOS-UHFFFAOYSA-N
XLogP2.09
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (CID 103298683) is 5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2ncccc2F)sc1C(=O)O.
What is the InChIKey of 5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is ANXBAXIHMRSQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4S2/c1-6-5-8(19-9(6)11(15)16)14-20(17,18)10-7(12)3-2-4-13-10/h2-5,14H,1H3,(H,15,16).
What are the key properties of 5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 103298683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).