N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide

C13H8BrClN4O3S — CID 87986810

IUPACN-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cn2cc(Br)nc(Cl)c2n1
InChIInChI=1S/C13H8BrClN4O3S/c14-10-7-19-6-9(16-12(19)11(15)17-10)13(20)18-23(21,22)8-4-2-1-3-5-8/h1-7H,(H,18,20)
InChIKeyAZLILPYYYLMYSC-UHFFFAOYSA-N
MW415.66 g/mol
LogP2.26
Rot. Bonds3

About N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide

N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 87986810) has the molecular formula C13H8BrClN4O3S and a molecular weight of 415.66 g/mol. Its IUPAC name is N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID87986810
Molecular FormulaC13H8BrClN4O3S
Molecular Weight415.66 g/mol
Exact Mass413.92
IUPAC NameN-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cn2cc(Br)nc(Cl)c2n1
InChIInChI=1S/C13H8BrClN4O3S/c14-10-7-19-6-9(16-12(19)11(15)17-10)13(20)18-23(21,22)8-4-2-1-3-5-8/h1-7H,(H,18,20)
InChIKeyAZLILPYYYLMYSC-UHFFFAOYSA-N
XLogP2.26
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.66
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide (CID 87986810) is N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1cn2cc(Br)nc(Cl)c2n1.
What is the InChIKey of N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is AZLILPYYYLMYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN4O3S/c14-10-7-19-6-9(16-12(19)11(15)17-10)13(20)18-23(21,22)8-4-2-1-3-5-8/h1-7H,(H,18,20).
What are the key properties of N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide?
N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 415.66 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 87986810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).