3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide

C15H19N3O2S — CID 107405576

IUPAC3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)Nc2cccnc2)c1
InChIInChI=1S/C15H19N3O2S/c1-3-11-8-14(16)13(4-2)15(9-11)21(19,20)18-12-6-5-7-17-10-12/h5-10,18H,3-4,16H2,1-2H3
InChIKeyDAYSEJDMOBEWJV-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.59
Rot. Bonds5

About 3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide

3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 107405576) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID107405576
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)Nc2cccnc2)c1
InChIInChI=1S/C15H19N3O2S/c1-3-11-8-14(16)13(4-2)15(9-11)21(19,20)18-12-6-5-7-17-10-12/h5-10,18H,3-4,16H2,1-2H3
InChIKeyDAYSEJDMOBEWJV-UHFFFAOYSA-N
XLogP2.59
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107405715
3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 79889308
3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 107406911
5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 116529293
3-amino-5-chloro-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 103050184
3-amino-N-(3,3-dimethylbutyl)-2,5-diethylbenzenesulfonamide
CID 107407026
3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide
CID 106596301
3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 107406932
2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 15943881
2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033482
2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide
CID 106033085
3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 107406972

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide (CID 107405576) is 3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide is CCc1cc(N)c(CC)c(S(=O)(=O)Nc2cccnc2)c1.
What is the InChIKey of 3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is DAYSEJDMOBEWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-11-8-14(16)13(4-2)15(9-11)21(19,20)18-12-6-5-7-17-10-12/h5-10,18H,3-4,16H2,1-2H3.
What are the key properties of 3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide?
3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 107405576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).