5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide

C12H14N4O3S — CID 107587489

IUPAC5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C12H14N4O3S/c1-8-3-11(19-2)12(4-10(8)13)20(17,18)16-9-5-14-7-15-6-9/h3-7,16H,13H2,1-2H3
InChIKeyXQPMNFNCEUWIAW-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.18
Rot. Bonds4

About 5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide

5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 107587489) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID107587489
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C12H14N4O3S/c1-8-3-11(19-2)12(4-10(8)13)20(17,18)16-9-5-14-7-15-6-9/h3-7,16H,13H2,1-2H3
InChIKeyXQPMNFNCEUWIAW-UHFFFAOYSA-N
XLogP1.18
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.18
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-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587497
5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 79961698
5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959394
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 79974806
5-amino-N-(5-fluoro-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959391
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
5-amino-2-bromo-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587514
5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587452

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide (CID 107587489) is 5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)Nc1cncnc1.
What is the InChIKey of 5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is XQPMNFNCEUWIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-8-3-11(19-2)12(4-10(8)13)20(17,18)16-9-5-14-7-15-6-9/h3-7,16H,13H2,1-2H3.
What are the key properties of 5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide?
5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 294.34 g/mol, XLogP of 1.18, 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-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 107587489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).