4-(pyrazin-2-ylamino)benzenesulfonic acid

C10H9N3O3S — CID 71438299

IUPAC4-(pyrazin-2-ylamino)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(Nc2cnccn2)cc1
InChIInChI=1S/C10H9N3O3S/c14-17(15,16)9-3-1-8(2-4-9)13-10-7-11-5-6-12-10/h1-7H,(H,12,13)(H,14,15,16)
InChIKeyUNYVISJLYBRACJ-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.47
Rot. Bonds3

About 4-(pyrazin-2-ylamino)benzenesulfonic acid

4-(pyrazin-2-ylamino)benzenesulfonic acid (PubChem CID 71438299) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 4-(pyrazin-2-ylamino)benzenesulfonic acid.

Molecular Properties

Compound Name4-(pyrazin-2-ylamino)benzenesulfonic acid
PubChem CID71438299
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name4-(pyrazin-2-ylamino)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(Nc2cnccn2)cc1
InChIInChI=1S/C10H9N3O3S/c14-17(15,16)9-3-1-8(2-4-9)13-10-7-11-5-6-12-10/h1-7H,(H,12,13)(H,14,15,16)
InChIKeyUNYVISJLYBRACJ-UHFFFAOYSA-N
XLogP1.47
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)pyrazin-2-amine
CID 23073023
4-[[2,6-bis(4-sulfoanilino)pyrimidin-4-yl]amino]benzenesulfonic acid
CID 143050820
N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
CID 66615925
4-(methylamino)-N-pyrazin-2-ylbenzenesulfonamide
CID 43616210
sodium 4,6-bis(4-sulfoanilino)-1,3,5-triazin-2-olate
CID 101326523
N-[4-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117094486
4-[(4,6-difluoropyrimidin-2-yl)amino]benzenesulfonic acid
CID 91807841
(4-sulfoanilino)azanium chloride
CID 11172143
4-bromo-N-pyrazin-2-ylbenzenesulfonamide
CID 22772873
CID 131880907
CID 131880907
N-[4-[2-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridinyl]methanesulfonamide
CID 145071787
2-N,6-N-di(pyrazin-2-yl)pyrazine-2,6-diamine
CID 86223538

Frequently Asked Questions

What is the IUPAC name of 4-(pyrazin-2-ylamino)benzenesulfonic acid?
The IUPAC name of 4-(pyrazin-2-ylamino)benzenesulfonic acid (CID 71438299) is 4-(pyrazin-2-ylamino)benzenesulfonic acid.
What is the SMILES notation for 4-(pyrazin-2-ylamino)benzenesulfonic acid?
The canonical SMILES for 4-(pyrazin-2-ylamino)benzenesulfonic acid is O=S(=O)(O)c1ccc(Nc2cnccn2)cc1.
What is the InChIKey of 4-(pyrazin-2-ylamino)benzenesulfonic acid?
The InChIKey is UNYVISJLYBRACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c14-17(15,16)9-3-1-8(2-4-9)13-10-7-11-5-6-12-10/h1-7H,(H,12,13)(H,14,15,16).
What are the key properties of 4-(pyrazin-2-ylamino)benzenesulfonic acid?
4-(pyrazin-2-ylamino)benzenesulfonic acid has a molecular weight of 251.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazin-2-ylamino)benzenesulfonic acid is sourced from PubChem (CID 71438299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).