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

C19H18N6O6S2 — CID 156816832

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(S(N)(=O)=O)cc3)cnc2N)cc1
InChIInChI=1S/C19H18N6O6S2/c1-11(26)25-33(30,31)15-8-4-13(5-9-15)23-19(27)17-18(20)22-10-16(24-17)12-2-6-14(7-3-12)32(21,28)29/h2-10H,1H3,(H2,20,22)(H,23,27)(H,25,26)(H2,21,28,29)
InChIKeyAETJEZYACXDEOS-UHFFFAOYSA-N
MW490.52 g/mol
LogP0.45
Rot. Bonds6

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

N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide (PubChem CID 156816832) has the molecular formula C19H18N6O6S2 and a molecular weight of 490.52 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide
PubChem CID156816832
Molecular FormulaC19H18N6O6S2
Molecular Weight490.52 g/mol
Exact Mass490.07
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(S(N)(=O)=O)cc3)cnc2N)cc1
InChIInChI=1S/C19H18N6O6S2/c1-11(26)25-33(30,31)15-8-4-13(5-9-15)23-19(27)17-18(20)22-10-16(24-17)12-2-6-14(7-3-12)32(21,28)29/h2-10H,1H3,(H2,20,22)(H,23,27)(H,25,26)(H2,21,28,29)
InChIKeyAETJEZYACXDEOS-UHFFFAOYSA-N
XLogP0.45
TPSA204.30 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide (CID 156816832) is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(S(N)(=O)=O)cc3)cnc2N)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide?
The InChIKey is AETJEZYACXDEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O6S2/c1-11(26)25-33(30,31)15-8-4-13(5-9-15)23-19(27)17-18(20)22-10-16(24-17)12-2-6-14(7-3-12)32(21,28)29/h2-10H,1H3,(H2,20,22)(H,23,27)(H,25,26)(H2,21,28,29).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide has a molecular weight of 490.52 g/mol, XLogP of 0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 156816832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).