3-(benzenesulfonyl)-2H-pyrazin-1-amine

C10H11N3O2S — CID 67712287

IUPAC3-(benzenesulfonyl)-2H-pyrazin-1-amine
SMILESNN1C=CN=C(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C10H11N3O2S/c11-13-7-6-12-10(8-13)16(14,15)9-4-2-1-3-5-9/h1-7H,8,11H2
InChIKeyCTHBWCKTQKGKNO-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.52
Rot. Bonds1

About 3-(benzenesulfonyl)-2H-pyrazin-1-amine

3-(benzenesulfonyl)-2H-pyrazin-1-amine (PubChem CID 67712287) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2H-pyrazin-1-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2H-pyrazin-1-amine
PubChem CID67712287
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name3-(benzenesulfonyl)-2H-pyrazin-1-amine
SMILESNN1C=CN=C(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C10H11N3O2S/c11-13-7-6-12-10(8-13)16(14,15)9-4-2-1-3-5-9/h1-7H,8,11H2
InChIKeyCTHBWCKTQKGKNO-UHFFFAOYSA-N
XLogP0.52
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2H-pyrazin-1-amine?
The IUPAC name of 3-(benzenesulfonyl)-2H-pyrazin-1-amine (CID 67712287) is 3-(benzenesulfonyl)-2H-pyrazin-1-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-2H-pyrazin-1-amine?
The canonical SMILES for 3-(benzenesulfonyl)-2H-pyrazin-1-amine is NN1C=CN=C(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 3-(benzenesulfonyl)-2H-pyrazin-1-amine?
The InChIKey is CTHBWCKTQKGKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c11-13-7-6-12-10(8-13)16(14,15)9-4-2-1-3-5-9/h1-7H,8,11H2.
What are the key properties of 3-(benzenesulfonyl)-2H-pyrazin-1-amine?
3-(benzenesulfonyl)-2H-pyrazin-1-amine has a molecular weight of 237.28 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2H-pyrazin-1-amine is sourced from PubChem (CID 67712287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).