5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide

C13H15N3O4S — CID 102945838

IUPAC5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)Nc2ccccn2)cc1N
InChIInChI=1S/C13H15N3O4S/c1-19-10-8-11(20-2)12(7-9(10)14)21(17,18)16-13-5-3-4-6-15-13/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyIDKJLPHNJUYEQC-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.48
Rot. Bonds5

About 5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide

5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 102945838) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide
PubChem CID102945838
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)Nc2ccccn2)cc1N
InChIInChI=1S/C13H15N3O4S/c1-19-10-8-11(20-2)12(7-9(10)14)21(17,18)16-13-5-3-4-6-15-13/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyIDKJLPHNJUYEQC-UHFFFAOYSA-N
XLogP1.48
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.48
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-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 102945870
4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644702
2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082623
methyl 4-amino-2-(pyridin-2-ylsulfamoyl)benzoate
CID 102930757
4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032
5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 25048503
5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide
CID 102946035
4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide
CID 103050176
5-amino-N-(5-fluoro-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959391
2,3,4,5-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644704

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide (CID 102945838) is 5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide is COc1cc(OC)c(S(=O)(=O)Nc2ccccn2)cc1N.
What is the InChIKey of 5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is IDKJLPHNJUYEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-19-10-8-11(20-2)12(7-9(10)14)21(17,18)16-13-5-3-4-6-15-13/h3-8H,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide?
5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 309.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 102945838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).