N-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide

C11H8BrCl2N5O2S — CID 88724312

IUPACN-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide
SMILESNc1nc(Cl)c(Cl)nc1/C=N\NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H8BrCl2N5O2S/c12-6-1-3-7(4-2-6)22(20,21)19-16-5-8-11(15)18-10(14)9(13)17-8/h1-5,19H,(H2,15,18)/b16-5-
InChIKeyJVISDLZECPKIMJ-BNCCVWRVSA-N
MW425.10 g/mol
LogP2.44
Rot. Bonds4

About N-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide

N-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide (PubChem CID 88724312) has the molecular formula C11H8BrCl2N5O2S and a molecular weight of 425.10 g/mol. Its IUPAC name is N-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide
PubChem CID88724312
Molecular FormulaC11H8BrCl2N5O2S
Molecular Weight425.10 g/mol
Exact Mass422.90
IUPAC NameN-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide
SMILESNc1nc(Cl)c(Cl)nc1/C=N\NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H8BrCl2N5O2S/c12-6-1-3-7(4-2-6)22(20,21)19-16-5-8-11(15)18-10(14)9(13)17-8/h1-5,19H,(H2,15,18)/b16-5-
InChIKeyJVISDLZECPKIMJ-BNCCVWRVSA-N
XLogP2.44
TPSA110.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.10
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide?
The IUPAC name of N-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide (CID 88724312) is N-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide?
The canonical SMILES for N-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide is Nc1nc(Cl)c(Cl)nc1/C=N\NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide?
The InChIKey is JVISDLZECPKIMJ-BNCCVWRVSA-N. The full InChI is InChI=1S/C11H8BrCl2N5O2S/c12-6-1-3-7(4-2-6)22(20,21)19-16-5-8-11(15)18-10(14)9(13)17-8/h1-5,19H,(H2,15,18)/b16-5-.
What are the key properties of N-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide?
N-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide has a molecular weight of 425.10 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-amino-5,6-dichloropyrazin-2-yl)methylideneamino]-4-bromobenzenesulfonamide is sourced from PubChem (CID 88724312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).