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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Related Compounds

N-(6-amino-3-pyridinyl)-5-bromothiophene-2-sulfonamide
CID 60790488
5-bromo-N-(6-phenyl-3-pyridinyl)thiophene-2-sulfonamide
CID 110634801
2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 65345395
2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
CID 107339875
5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010432
5-[(5-bromothiophen-2-yl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid
CID 53024854
2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339860
2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339836
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid
CID 107339762

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).