4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide

C10H11N5O2S — CID 12626415

IUPAC4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cncc(N)n2)cc1
InChIInChI=1S/C10H11N5O2S/c11-7-1-3-8(4-2-7)18(16,17)15-10-6-13-5-9(12)14-10/h1-6H,11H2,(H3,12,14,15)
InChIKeyFIAUJAWPBLQHGZ-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.44
Rot. Bonds3

About 4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide

4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide (PubChem CID 12626415) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide
PubChem CID12626415
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cncc(N)n2)cc1
InChIInChI=1S/C10H11N5O2S/c11-7-1-3-8(4-2-7)18(16,17)15-10-6-13-5-9(12)14-10/h1-6H,11H2,(H3,12,14,15)
InChIKeyFIAUJAWPBLQHGZ-UHFFFAOYSA-N
XLogP0.44
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide (CID 12626415) is 4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cncc(N)n2)cc1.
What is the InChIKey of 4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide?
The InChIKey is FIAUJAWPBLQHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c11-7-1-3-8(4-2-7)18(16,17)15-10-6-13-5-9(12)14-10/h1-6H,11H2,(H3,12,14,15).
What are the key properties of 4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide?
4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide has a molecular weight of 265.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 12626415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).