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

C19H16ClN5O4S — CID 156816991

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)cnc2N)cc1
InChIInChI=1S/C19H16ClN5O4S/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,1H3,(H2,21,22)(H,23,27)(H,25,26)
InChIKeyKGASXAWEQKVTHI-UHFFFAOYSA-N
MW445.89 g/mol
LogP2.46
Rot. Bonds5

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

N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide (PubChem CID 156816991) has the molecular formula C19H16ClN5O4S and a molecular weight of 445.89 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide
PubChem CID156816991
Molecular FormulaC19H16ClN5O4S
Molecular Weight445.89 g/mol
Exact Mass445.06
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)cnc2N)cc1
InChIInChI=1S/C19H16ClN5O4S/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,1H3,(H2,21,22)(H,23,27)(H,25,26)
InChIKeyKGASXAWEQKVTHI-UHFFFAOYSA-N
XLogP2.46
TPSA144.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.89
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[[3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carbonyl]amino]phenyl]sulfonylmethylphosphonic acid
CID 166681364
3-amino-N-[4-(2-hydroxyprop-2-enylsulfonyl)phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide
CID 159494311
[4-[[3-amino-6-(4-fluorophenyl)pyrazine-2-carbonyl]amino]phenyl]sulfonylmethylphosphonic acid
CID 166681391
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
[4-[(3-amino-6-phenylpyrazine-2-carbonyl)amino]phenyl]sulfonyloxy-methylphosphinic acid
CID 175401275
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-bromopyrazine-2-carboxamide;N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3H-isoindol-5-yl)pyrazine-2-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
CID 161177769
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 130206353
N-[4-[2-[3-amino-6-(2-methylpyrimidin-5-yl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
CID 157129574
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
N-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide
CID 156816533

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide (CID 156816991) is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)cnc2N)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide?
The InChIKey is KGASXAWEQKVTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O4S/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,1H3,(H2,21,22)(H,23,27)(H,25,26).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide has a molecular weight of 445.89 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 156816991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).