5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide

C11H12N4O3S — CID 107587497

IUPAC5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C11H12N4O3S/c1-18-10-3-2-8(12)4-11(10)19(16,17)15-9-5-13-7-14-6-9/h2-7,15H,12H2,1H3
InChIKeyXEVDOMBCGXVQLJ-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.87
Rot. Bonds4

About 5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide

5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 107587497) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID107587497
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C11H12N4O3S/c1-18-10-3-2-8(12)4-11(10)19(16,17)15-9-5-13-7-14-6-9/h2-7,15H,12H2,1H3
InChIKeyXEVDOMBCGXVQLJ-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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Related Compounds

5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587489
5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587461
5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide
CID 43124455
5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 29267050
5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60808972
5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585840
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
CID 104617067
5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587452
5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide
CID 61472007
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide (CID 107587497) is 5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)Nc1cncnc1.
What is the InChIKey of 5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is XEVDOMBCGXVQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-18-10-3-2-8(12)4-11(10)19(16,17)15-9-5-13-7-14-6-9/h2-7,15H,12H2,1H3.
What are the key properties of 5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide?
5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide 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 5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 107587497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).