4-amino-N-quinoxalin-2-ylbenzenesulfonamide

C14H12N4O2S — CID 5338

IUPAC4-amino-N-quinoxalin-2-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
InChIInChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)
InChIKeyNHZLNPMOSADWGC-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.01
Rot. Bonds3

About 4-amino-N-quinoxalin-2-ylbenzenesulfonamide

4-amino-N-quinoxalin-2-ylbenzenesulfonamide (PubChem CID 5338) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-amino-N-quinoxalin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-quinoxalin-2-ylbenzenesulfonamide
PubChem CID5338
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name4-amino-N-quinoxalin-2-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
InChIInChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)
InChIKeyNHZLNPMOSADWGC-UHFFFAOYSA-N
XLogP2.01
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Sulfapyridine
CID 5336
4-Amino-N-(5-chloro-2-quinoxalinyl)benzenesulfonamide
CID 72462
Sulfaquinoxaline Sodium
CID 3693427
Sulfapyridine Sodium
CID 23667654
2-Aminoquinoxaline
CID 224573
Methyl [4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamate
CID 2165246
N-(3-chloroquinoxalin-2-yl)-4-fluorobenzene-1-sulfonamide
CID 3455851
Sulfapyrazine
CID 8309
4-amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 389572
N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamide
CID 4092119
4-((2,4-Diaminopteridin-6-yl)methylamino)benzenesulfonic acid
CID 46918149
N-(4-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfamoyl}phenyl)acetamide
CID 660711

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-quinoxalin-2-ylbenzenesulfonamide?
The IUPAC name of 4-amino-N-quinoxalin-2-ylbenzenesulfonamide (CID 5338) is 4-amino-N-quinoxalin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-quinoxalin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-quinoxalin-2-ylbenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1.
What is the InChIKey of 4-amino-N-quinoxalin-2-ylbenzenesulfonamide?
The InChIKey is NHZLNPMOSADWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18).
What are the key properties of 4-amino-N-quinoxalin-2-ylbenzenesulfonamide?
4-amino-N-quinoxalin-2-ylbenzenesulfonamide has a molecular weight of 300.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-quinoxalin-2-ylbenzenesulfonamide is sourced from PubChem (CID 5338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).