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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Related Compounds

benzene-1,3-disulfonamide
CID 3090044
3-iodobenzenesulfonamide
CID 11219806
2-amino-N-pyridin-4-yl-5-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 71080374
3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
CID 67570814
3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide
CID 175307875
3-(1,3-benzoxazol-2-yl)-5-(3-ethylsulfonylphenyl)pyrazin-2-amine
CID 67388957
ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide
CID 144505728
3-(3,5-dimethylphenyl)benzenesulfonamide
CID 140585676
3-[1-[6-(4-chlorophenyl)-4-methyl-2-pyridinyl]imidazol-4-yl]benzenesulfonamide
CID 57469137
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 118470503
3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide
CID 135925097
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156

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).