4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline

C12H13BrN4O2S — CID 63014797

IUPAC4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline
SMILESNc1ccc(Br)cc1S(=O)(=O)N1CCn2ccnc2C1
InChIInChI=1S/C12H13BrN4O2S/c13-9-1-2-10(14)11(7-9)20(18,19)17-6-5-16-4-3-15-12(16)8-17/h1-4,7H,5-6,8,14H2
InChIKeyOMDBRAMCUSGWJV-UHFFFAOYSA-N
MW357.23 g/mol
LogP1.43
Rot. Bonds2

About 4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline

4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline (PubChem CID 63014797) has the molecular formula C12H13BrN4O2S and a molecular weight of 357.23 g/mol. Its IUPAC name is 4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline.

Molecular Properties

Compound Name4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline
PubChem CID63014797
Molecular FormulaC12H13BrN4O2S
Molecular Weight357.23 g/mol
Exact Mass355.99
IUPAC Name4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline
SMILESNc1ccc(Br)cc1S(=O)(=O)N1CCn2ccnc2C1
InChIInChI=1S/C12H13BrN4O2S/c13-9-1-2-10(14)11(7-9)20(18,19)17-6-5-16-4-3-15-12(16)8-17/h1-4,7H,5-6,8,14H2
InChIKeyOMDBRAMCUSGWJV-UHFFFAOYSA-N
XLogP1.43
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline
CID 63013184
4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one
CID 54888933
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)pyridin-2-amine
CID 63020721
[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine
CID 102920759
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline
CID 63014254
7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 63018949
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline
CID 63322328
4-bromo-2-(1,3-dihydroisoindol-2-ylsulfonyl)aniline
CID 62205542
7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55149786
[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine
CID 63024668
7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 110712742
(3S)-1-(2-amino-5-bromophenyl)sulfonylpyrrolidin-3-ol
CID 107212123

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline?
The IUPAC name of 4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline (CID 63014797) is 4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline.
What is the SMILES notation for 4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline?
The canonical SMILES for 4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline is Nc1ccc(Br)cc1S(=O)(=O)N1CCn2ccnc2C1.
What is the InChIKey of 4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline?
The InChIKey is OMDBRAMCUSGWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2S/c13-9-1-2-10(14)11(7-9)20(18,19)17-6-5-16-4-3-15-12(16)8-17/h1-4,7H,5-6,8,14H2.
What are the key properties of 4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline?
4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline has a molecular weight of 357.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline is sourced from PubChem (CID 63014797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).