5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide

C12H13BrN4O3S — CID 79959394

IUPAC5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C12H13BrN4O3S/c1-7-3-9(20-2)10(4-8(7)14)21(18,19)17-12-6-15-11(13)5-16-12/h3-6H,14H2,1-2H3,(H,16,17)
InChIKeyCXGRQNVQBKIXCX-UHFFFAOYSA-N
MW373.23 g/mol
LogP1.94
Rot. Bonds4

About 5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide

5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 79959394) has the molecular formula C12H13BrN4O3S and a molecular weight of 373.23 g/mol. Its IUPAC name is 5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide
PubChem CID79959394
Molecular FormulaC12H13BrN4O3S
Molecular Weight373.23 g/mol
Exact Mass371.99
IUPAC Name5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C12H13BrN4O3S/c1-7-3-9(20-2)10(4-8(7)14)21(18,19)17-12-6-15-11(13)5-16-12/h3-6H,14H2,1-2H3,(H,16,17)
InChIKeyCXGRQNVQBKIXCX-UHFFFAOYSA-N
XLogP1.94
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide
CID 81397943
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
5-amino-N-(5-fluoro-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959391
3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide
CID 79889587
N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 115733519
5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587489
5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 79974806
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 79961698
4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667
5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide
CID 102945838

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide (CID 79959394) is 5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)Nc1cnc(Br)cn1.
What is the InChIKey of 5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is CXGRQNVQBKIXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3S/c1-7-3-9(20-2)10(4-8(7)14)21(18,19)17-12-6-15-11(13)5-16-12/h3-6H,14H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide?
5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 373.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 79959394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).