3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide

C10H9IN4O2S — CID 118002712

IUPAC3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide
SMILESNc1ncc(-c2cccc(S(N)(=O)=O)c2)nc1I
InChIInChI=1S/C10H9IN4O2S/c11-9-10(12)14-5-8(15-9)6-2-1-3-7(4-6)18(13,16)17/h1-5H,(H2,12,14)(H2,13,16,17)
InChIKeyGEJUMWCMGPPNRH-UHFFFAOYSA-N
MW376.18 g/mol
LogP0.98
Rot. Bonds2

About 3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide

3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide (PubChem CID 118002712) has the molecular formula C10H9IN4O2S and a molecular weight of 376.18 g/mol. Its IUPAC name is 3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide
PubChem CID118002712
Molecular FormulaC10H9IN4O2S
Molecular Weight376.18 g/mol
Exact Mass375.95
IUPAC Name3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide
SMILESNc1ncc(-c2cccc(S(N)(=O)=O)c2)nc1I
InChIInChI=1S/C10H9IN4O2S/c11-9-10(12)14-5-8(15-9)6-2-1-3-7(4-6)18(13,16)17/h1-5H,(H2,12,14)(H2,13,16,17)
InChIKeyGEJUMWCMGPPNRH-UHFFFAOYSA-N
XLogP0.98
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide (CID 118002712) is 3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide is Nc1ncc(-c2cccc(S(N)(=O)=O)c2)nc1I.
What is the InChIKey of 3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide?
The InChIKey is GEJUMWCMGPPNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN4O2S/c11-9-10(12)14-5-8(15-9)6-2-1-3-7(4-6)18(13,16)17/h1-5H,(H2,12,14)(H2,13,16,17).
What are the key properties of 3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide?
3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide has a molecular weight of 376.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-6-iodopyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 118002712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).