5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide

C12H14N4O2S — CID 43616062

IUPAC5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cnccn2)c1C
InChIInChI=1S/C12H14N4O2S/c1-8-5-10(13)6-11(9(8)2)19(17,18)16-12-7-14-3-4-15-12/h3-7H,13H2,1-2H3,(H,15,16)
InChIKeyIDQAOVNSEMXQHV-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.48
Rot. Bonds3

About 5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide

5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 43616062) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID43616062
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cnccn2)c1C
InChIInChI=1S/C12H14N4O2S/c1-8-5-10(13)6-11(9(8)2)19(17,18)16-12-7-14-3-4-15-12/h3-7H,13H2,1-2H3,(H,15,16)
InChIKeyIDQAOVNSEMXQHV-UHFFFAOYSA-N
XLogP1.48
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.48
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

3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 114379006
3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 106503931
5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 29040045
3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 116791557
CID 131880907
CID 131880907
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dimethylbenzenesulfonamide
CID 83165910
3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide
CID 55153657
5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 79897021
3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide
CID 81470896
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
CID 62146847

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide (CID 43616062) is 5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2cnccn2)c1C.
What is the InChIKey of 5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is IDQAOVNSEMXQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-5-10(13)6-11(9(8)2)19(17,18)16-12-7-14-3-4-15-12/h3-7H,13H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide?
5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 43616062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).