2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid

C11H9BrN2O4S2 — CID 107339698

IUPAC2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)cn1
InChIInChI=1S/C11H9BrN2O4S2/c12-9-3-4-11(19-9)20(17,18)14-8-2-1-7(13-6-8)5-10(15)16/h1-4,6,14H,5H2,(H,15,16)
InChIKeyXFNRMEDSTNTKKB-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.33
Rot. Bonds5

About 2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid

2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid (PubChem CID 107339698) has the molecular formula C11H9BrN2O4S2 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid
PubChem CID107339698
Molecular FormulaC11H9BrN2O4S2
Molecular Weight377.24 g/mol
Exact Mass375.92
IUPAC Name2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)cn1
InChIInChI=1S/C11H9BrN2O4S2/c12-9-3-4-11(19-9)20(17,18)14-8-2-1-7(13-6-8)5-10(15)16/h1-4,6,14H,5H2,(H,15,16)
InChIKeyXFNRMEDSTNTKKB-UHFFFAOYSA-N
XLogP2.33
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid (CID 107339698) is 2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)cn1.
What is the InChIKey of 2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid?
The InChIKey is XFNRMEDSTNTKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O4S2/c12-9-3-4-11(19-9)20(17,18)14-8-2-1-7(13-6-8)5-10(15)16/h1-4,6,14H,5H2,(H,15,16).
What are the key properties of 2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid?
2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid has a molecular weight of 377.24 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).