3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide

C11H11N5O3S — CID 81470896

IUPAC3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2cnccn2)c(N)c1
InChIInChI=1S/C11H11N5O3S/c12-8-5-7(11(13)17)1-2-9(8)20(18,19)16-10-6-14-3-4-15-10/h1-6H,12H2,(H2,13,17)(H,15,16)
InChIKeyKNWICIKJBANBAM-UHFFFAOYSA-N
MW293.31 g/mol
LogP-0.04
Rot. Bonds4

About 3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide

3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide (PubChem CID 81470896) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide
PubChem CID81470896
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC Name3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2cnccn2)c(N)c1
InChIInChI=1S/C11H11N5O3S/c12-8-5-7(11(13)17)1-2-9(8)20(18,19)16-10-6-14-3-4-15-10/h1-6H,12H2,(H2,13,17)(H,15,16)
InChIKeyKNWICIKJBANBAM-UHFFFAOYSA-N
XLogP-0.04
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide
CID 81471489
2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
CID 62146847
3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide
CID 81465769
3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide
CID 104617145
5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 43616062
3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide
CID 81452826
3-amino-4-[(5-bromo-2-pyridinyl)sulfamoyl]benzoic acid
CID 81465963
3-amino-4-(cyclobutylsulfamoyl)benzamide
CID 81471203
3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 114379006
3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide
CID 55153657
3-amino-4-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794764
CID 131880907
CID 131880907

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide?
The IUPAC name of 3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide (CID 81470896) is 3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide?
The canonical SMILES for 3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide is NC(=O)c1ccc(S(=O)(=O)Nc2cnccn2)c(N)c1.
What is the InChIKey of 3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide?
The InChIKey is KNWICIKJBANBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c12-8-5-7(11(13)17)1-2-9(8)20(18,19)16-10-6-14-3-4-15-10/h1-6H,12H2,(H2,13,17)(H,15,16).
What are the key properties of 3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide?
3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide has a molecular weight of 293.31 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 81470896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).