3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide

C12H13BrN4O2S — CID 79889587

IUPAC3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2cnc(Br)cn2)c1
InChIInChI=1S/C12H13BrN4O2S/c1-7-3-9(14)8(2)10(4-7)20(18,19)17-12-6-15-11(13)5-16-12/h3-6H,14H2,1-2H3,(H,16,17)
InChIKeyKBHINOHCHNYFQX-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.24
Rot. Bonds3

About 3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide

3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 79889587) has the molecular formula C12H13BrN4O2S and a molecular weight of 357.23 g/mol. Its IUPAC name is 3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID79889587
Molecular FormulaC12H13BrN4O2S
Molecular Weight357.23 g/mol
Exact Mass355.99
IUPAC Name3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2cnc(Br)cn2)c1
InChIInChI=1S/C12H13BrN4O2S/c1-7-3-9(14)8(2)10(4-7)20(18,19)17-12-6-15-11(13)5-16-12/h3-6H,14H2,1-2H3,(H,16,17)
InChIKeyKBHINOHCHNYFQX-UHFFFAOYSA-N
XLogP2.24
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide 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

3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79889062
5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959394
5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide
CID 81397943
3-amino-2,5-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 79889224
3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79884838
3-amino-2,5-dimethyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79889757
3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
CID 79889241
3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835
3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79884837
3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 79889308
4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid
CID 102931334
N-(5-bromopyrazin-2-yl)-2-hydroxybenzenesulfonamide
CID 81245361

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide (CID 79889587) is 3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)Nc2cnc(Br)cn2)c1.
What is the InChIKey of 3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is KBHINOHCHNYFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2S/c1-7-3-9(14)8(2)10(4-7)20(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 3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide?
3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79889587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).