4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide

C11H12N4O4S — CID 135449142

IUPAC4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide
SMILESCOc1nc(NS(=O)(=O)c2ccc(N)cc2)cc(=O)[nH]1
InChIInChI=1S/C11H12N4O4S/c1-19-11-13-9(6-10(16)14-11)15-20(17,18)8-4-2-7(12)3-5-8/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeyDMLFFPYOLJDWEP-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.16
Rot. Bonds4

About 4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide

4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide (PubChem CID 135449142) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide
PubChem CID135449142
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide
SMILESCOc1nc(NS(=O)(=O)c2ccc(N)cc2)cc(=O)[nH]1
InChIInChI=1S/C11H12N4O4S/c1-19-11-13-9(6-10(16)14-11)15-20(17,18)8-4-2-7(12)3-5-8/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeyDMLFFPYOLJDWEP-UHFFFAOYSA-N
XLogP0.16
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.16
H-Bond Donors ≤ 53
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 4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide (CID 135449142) is 4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide is COc1nc(NS(=O)(=O)c2ccc(N)cc2)cc(=O)[nH]1.
What is the InChIKey of 4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide?
The InChIKey is DMLFFPYOLJDWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-19-11-13-9(6-10(16)14-11)15-20(17,18)8-4-2-7(12)3-5-8/h2-6H,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide?
4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxy-6-oxo-1H-pyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 135449142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).