2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid

C12H11N3O4S — CID 43616102

IUPAC2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2cnccn2)cc1
InChIInChI=1S/C12H11N3O4S/c16-12(17)7-9-1-3-10(4-2-9)20(18,19)15-11-8-13-5-6-14-11/h1-6,8H,7H2,(H,14,15)(H,16,17)
InChIKeyHPXWUSQSTFXHLE-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.90
Rot. Bonds5

About 2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid

2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid (PubChem CID 43616102) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid
PubChem CID43616102
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2cnccn2)cc1
InChIInChI=1S/C12H11N3O4S/c16-12(17)7-9-1-3-10(4-2-9)20(18,19)15-11-8-13-5-6-14-11/h1-6,8H,7H2,(H,14,15)(H,16,17)
InChIKeyHPXWUSQSTFXHLE-UHFFFAOYSA-N
XLogP0.90
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide
CID 60823106
4-bromo-N-pyrazin-2-ylbenzenesulfonamide
CID 22772873
CID 131880907
CID 131880907
4-(methylamino)-N-pyrazin-2-ylbenzenesulfonamide
CID 43616210
2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid
CID 91645949
3-[4-(pyrazin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43616118
2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid
CID 166242151
6-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
CID 62147379
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790
3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616050

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid (CID 43616102) is 2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)Nc2cnccn2)cc1.
What is the InChIKey of 2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid?
The InChIKey is HPXWUSQSTFXHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c16-12(17)7-9-1-3-10(4-2-9)20(18,19)15-11-8-13-5-6-14-11/h1-6,8H,7H2,(H,14,15)(H,16,17).
What are the key properties of 2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid?
2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid has a molecular weight of 293.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid is sourced from PubChem (CID 43616102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).