2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide

C11H12N4O3S — CID 70425481

IUPAC2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cnc(NS(=O)(=O)c2ccccc2N)nc1
InChIInChI=1S/C11H12N4O3S/c1-18-8-6-13-11(14-7-8)15-19(16,17)10-5-3-2-4-9(10)12/h2-7H,12H2,1H3,(H,13,14,15)
InChIKeyBCLZCNNGSXSDJH-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.87
Rot. Bonds4

About 2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide

2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide (PubChem CID 70425481) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
PubChem CID70425481
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cnc(NS(=O)(=O)c2ccccc2N)nc1
InChIInChI=1S/C11H12N4O3S/c1-18-8-6-13-11(14-7-8)15-19(16,17)10-5-3-2-4-9(10)12/h2-7H,12H2,1H3,(H,13,14,15)
InChIKeyBCLZCNNGSXSDJH-UHFFFAOYSA-N
XLogP0.87
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.87
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-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide (CID 70425481) is 2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide is COc1cnc(NS(=O)(=O)c2ccccc2N)nc1.
What is the InChIKey of 2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide?
The InChIKey is BCLZCNNGSXSDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-18-8-6-13-11(14-7-8)15-19(16,17)10-5-3-2-4-9(10)12/h2-7H,12H2,1H3,(H,13,14,15).
What are the key properties of 2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide?
2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide has a molecular weight of 280.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 70425481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).