4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide

C13H17N5O3S — CID 165350307

IUPAC4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide
SMILESCCCc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
InChIInChI=1S/C13H17N5O3S/c1-3-4-11-15-12(17-13(16-11)21-2)18-22(19,20)10-7-5-9(14)6-8-10/h5-8H,3-4,14H2,1-2H3,(H,15,16,17,18)
InChIKeyCVUWJGFYKNHOCQ-UHFFFAOYSA-N
MW323.38 g/mol
LogP1.22
Rot. Bonds6

About 4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide

4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide (PubChem CID 165350307) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide
PubChem CID165350307
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide
SMILESCCCc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
InChIInChI=1S/C13H17N5O3S/c1-3-4-11-15-12(17-13(16-11)21-2)18-22(19,20)10-7-5-9(14)6-8-10/h5-8H,3-4,14H2,1-2H3,(H,15,16,17,18)
InChIKeyCVUWJGFYKNHOCQ-UHFFFAOYSA-N
XLogP1.22
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;hydrate
CID 45052589
4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;silver
CID 118386705
4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide
CID 3616965
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol
CID 68855747
4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide
CID 154127675
4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide (CID 165350307) is 4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide is CCCc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1.
What is the InChIKey of 4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide?
The InChIKey is CVUWJGFYKNHOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-3-4-11-15-12(17-13(16-11)21-2)18-22(19,20)10-7-5-9(14)6-8-10/h5-8H,3-4,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide?
4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide has a molecular weight of 323.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methoxy-6-propyl-1,3,5-triazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 165350307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).