N-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide

C14H14BrN5O4S — CID 156816533

IUPACN-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2nc(Br)cnc2N)cc1
InChIInChI=1S/C14H14BrN5O4S/c1-8(21)20-25(23,24)10-4-2-9(3-5-10)6-18-14(22)12-13(16)17-7-11(15)19-12/h2-5,7H,6H2,1H3,(H2,16,17)(H,18,22)(H,20,21)
InChIKeyMUCXQMDYGKGXNK-UHFFFAOYSA-N
MW428.27 g/mol
LogP0.58
Rot. Bonds5

About N-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide

N-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide (PubChem CID 156816533) has the molecular formula C14H14BrN5O4S and a molecular weight of 428.27 g/mol. Its IUPAC name is N-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide
PubChem CID156816533
Molecular FormulaC14H14BrN5O4S
Molecular Weight428.27 g/mol
Exact Mass426.99
IUPAC NameN-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2nc(Br)cnc2N)cc1
InChIInChI=1S/C14H14BrN5O4S/c1-8(21)20-25(23,24)10-4-2-9(3-5-10)6-18-14(22)12-13(16)17-7-11(15)19-12/h2-5,7H,6H2,1H3,(H2,16,17)(H,18,22)(H,20,21)
InChIKeyMUCXQMDYGKGXNK-UHFFFAOYSA-N
XLogP0.58
TPSA144.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.27
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-(3-amino-6-bromopyrazin-2-yl)-2-oxoethyl]phenyl]sulfonylacetamide;N-[4-[2-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;[4-[(dimethylamino)methyl]phenyl]boronic acid
CID 158377947
5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
CID 112521897
3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 75512255
3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide
CID 126987543
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 51312748
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-aminophenyl)sulfonylacetamide;N,N-diethylethanamine
CID 175178486
N-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylpropanamide
CID 159413369
5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 81310942
N-[(4-ethylsulfonylphenyl)methyl]-2-oxopropanamide
CID 115175667
5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 146074874
5-amino-N-[(4-methylsulfonylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617105

Frequently Asked Questions

What is the IUPAC name of N-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide?
The IUPAC name of N-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide (CID 156816533) is N-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide is CC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2nc(Br)cnc2N)cc1.
What is the InChIKey of N-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide?
The InChIKey is MUCXQMDYGKGXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O4S/c1-8(21)20-25(23,24)10-4-2-9(3-5-10)6-18-14(22)12-13(16)17-7-11(15)19-12/h2-5,7H,6H2,1H3,(H2,16,17)(H,18,22)(H,20,21).
What are the key properties of N-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide?
N-[[4-(acetylsulfamoyl)phenyl]methyl]-3-amino-6-bromopyrazine-2-carboxamide has a molecular weight of 428.27 g/mol, XLogP of 0.58, 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]methyl]-3-amino-6-bromopyrazine-2-carboxamide is sourced from PubChem (CID 156816533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).