4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid

C11H9BrN4O4S — CID 102931334

IUPAC4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid
SMILESNc1ccc(C(=O)O)c(S(=O)(=O)Nc2cnc(Br)cn2)c1
InChIInChI=1S/C11H9BrN4O4S/c12-9-4-15-10(5-14-9)16-21(19,20)8-3-6(13)1-2-7(8)11(17)18/h1-5H,13H2,(H,15,16)(H,17,18)
InChIKeyUSXSSOZKQREYCG-UHFFFAOYSA-N
MW373.19 g/mol
LogP1.32
Rot. Bonds4

About 4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid

4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid (PubChem CID 102931334) has the molecular formula C11H9BrN4O4S and a molecular weight of 373.19 g/mol. Its IUPAC name is 4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid
PubChem CID102931334
Molecular FormulaC11H9BrN4O4S
Molecular Weight373.19 g/mol
Exact Mass371.95
IUPAC Name4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid
SMILESNc1ccc(C(=O)O)c(S(=O)(=O)Nc2cnc(Br)cn2)c1
InChIInChI=1S/C11H9BrN4O4S/c12-9-4-15-10(5-14-9)16-21(19,20)8-3-6(13)1-2-7(8)11(17)18/h1-5H,13H2,(H,15,16)(H,17,18)
InChIKeyUSXSSOZKQREYCG-UHFFFAOYSA-N
XLogP1.32
TPSA135.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid (CID 102931334) is 4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid is Nc1ccc(C(=O)O)c(S(=O)(=O)Nc2cnc(Br)cn2)c1.
What is the InChIKey of 4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid?
The InChIKey is USXSSOZKQREYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O4S/c12-9-4-15-10(5-14-9)16-21(19,20)8-3-6(13)1-2-7(8)11(17)18/h1-5H,13H2,(H,15,16)(H,17,18).
What are the key properties of 4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid?
4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid has a molecular weight of 373.19 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 102931334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).