N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide

C19H18N6O4S — CID 156816874

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(N)cc3)cnc2N)cc1
InChIInChI=1S/C19H18N6O4S/c1-11(26)25-30(28,29)15-8-6-14(7-9-15)23-19(27)17-18(21)22-10-16(24-17)12-2-4-13(20)5-3-12/h2-10H,20H2,1H3,(H2,21,22)(H,23,27)(H,25,26)
InChIKeyHZWRENIGPANEJK-UHFFFAOYSA-N
MW426.46 g/mol
LogP1.39
Rot. Bonds5

About N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide (PubChem CID 156816874) has the molecular formula C19H18N6O4S and a molecular weight of 426.46 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide
PubChem CID156816874
Molecular FormulaC19H18N6O4S
Molecular Weight426.46 g/mol
Exact Mass426.11
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(N)cc3)cnc2N)cc1
InChIInChI=1S/C19H18N6O4S/c1-11(26)25-30(28,29)15-8-6-14(7-9-15)23-19(27)17-18(21)22-10-16(24-17)12-2-4-13(20)5-3-12/h2-10H,20H2,1H3,(H2,21,22)(H,23,27)(H,25,26)
InChIKeyHZWRENIGPANEJK-UHFFFAOYSA-N
XLogP1.39
TPSA170.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide (CID 156816874) is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(N)cc3)cnc2N)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide?
The InChIKey is HZWRENIGPANEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4S/c1-11(26)25-30(28,29)15-8-6-14(7-9-15)23-19(27)17-18(21)22-10-16(24-17)12-2-4-13(20)5-3-12/h2-10H,20H2,1H3,(H2,21,22)(H,23,27)(H,25,26).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide has a molecular weight of 426.46 g/mol, XLogP of 1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-aminophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 156816874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).