2-aminobenzenesulfonamide;4-methoxypyrimidine

C11H14N4O3S — CID 163526162

IUPAC2-aminobenzenesulfonamide;4-methoxypyrimidine
SMILESCOc1ccncn1.Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C6H8N2O2S.C5H6N2O/c7-5-3-1-2-4-6(5)11(8,9)10;1-8-5-2-3-6-4-7-5/h1-4H,7H2,(H2,8,9,10);2-4H,1H3
InChIKeyDOYGUAXKGYBUIS-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.40
Rot. Bonds2

About 2-aminobenzenesulfonamide;4-methoxypyrimidine

2-aminobenzenesulfonamide;4-methoxypyrimidine (PubChem CID 163526162) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-aminobenzenesulfonamide;4-methoxypyrimidine.

Molecular Properties

Compound Name2-aminobenzenesulfonamide;4-methoxypyrimidine
PubChem CID163526162
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name2-aminobenzenesulfonamide;4-methoxypyrimidine
SMILESCOc1ccncn1.Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C6H8N2O2S.C5H6N2O/c7-5-3-1-2-4-6(5)11(8,9)10;1-8-5-2-3-6-4-7-5/h1-4H,7H2,(H2,8,9,10);2-4H,1H3
InChIKeyDOYGUAXKGYBUIS-UHFFFAOYSA-N
XLogP0.40
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
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 2-aminobenzenesulfonamide;4-methoxypyrimidine?
The IUPAC name of 2-aminobenzenesulfonamide;4-methoxypyrimidine (CID 163526162) is 2-aminobenzenesulfonamide;4-methoxypyrimidine.
What is the SMILES notation for 2-aminobenzenesulfonamide;4-methoxypyrimidine?
The canonical SMILES for 2-aminobenzenesulfonamide;4-methoxypyrimidine is COc1ccncn1.Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-aminobenzenesulfonamide;4-methoxypyrimidine?
The InChIKey is DOYGUAXKGYBUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.C5H6N2O/c7-5-3-1-2-4-6(5)11(8,9)10;1-8-5-2-3-6-4-7-5/h1-4H,7H2,(H2,8,9,10);2-4H,1H3.
What are the key properties of 2-aminobenzenesulfonamide;4-methoxypyrimidine?
2-aminobenzenesulfonamide;4-methoxypyrimidine has a molecular weight of 282.33 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzenesulfonamide;4-methoxypyrimidine is sourced from PubChem (CID 163526162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).