2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid

C11H9FN2O4S2 — CID 107594798

IUPAC2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2ccncc2F)s1
InChIInChI=1S/C11H9FN2O4S2/c12-8-6-13-4-3-9(8)14-20(17,18)11-2-1-7(19-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKeyKGAHLEUHLACJNA-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.71
Rot. Bonds5

About 2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 107594798) has the molecular formula C11H9FN2O4S2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID107594798
Molecular FormulaC11H9FN2O4S2
Molecular Weight316.34 g/mol
Exact Mass316.00
IUPAC Name2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2ccncc2F)s1
InChIInChI=1S/C11H9FN2O4S2/c12-8-6-13-4-3-9(8)14-20(17,18)11-2-1-7(19-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKeyKGAHLEUHLACJNA-UHFFFAOYSA-N
XLogP1.71
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(5-fluoro-2-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 65479671
2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29080256
2-[5-(1,2-oxazol-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 60681193
2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 28546366
2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 81260465
2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106000398
2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29267010
2-[5-[(4-bromo-2-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43237086
5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 106090175
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
N-(3-fluoro-4-pyridinyl)-4-hydroxybenzenesulfonamide
CID 107595237
4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
CID 107594770

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 107594798) is 2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)Nc2ccncc2F)s1.
What is the InChIKey of 2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is KGAHLEUHLACJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4S2/c12-8-6-13-4-3-9(8)14-20(17,18)11-2-1-7(19-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 316.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 107594798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).