2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide

C15H26N2O2S — CID 79484270

IUPAC2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C15H26N2O2S/c1-5-13(6-2)17(11-12(3)4)20(18,19)15-10-8-7-9-14(15)16/h7-10,12-13H,5-6,11,16H2,1-4H3
InChIKeyFHVUHGGBCPUQRT-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.10
Rot. Bonds7

About 2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide

2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide (PubChem CID 79484270) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
PubChem CID79484270
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C15H26N2O2S/c1-5-13(6-2)17(11-12(3)4)20(18,19)15-10-8-7-9-14(15)16/h7-10,12-13H,5-6,11,16H2,1-4H3
InChIKeyFHVUHGGBCPUQRT-UHFFFAOYSA-N
XLogP3.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide (CID 79484270) is 2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide is CCC(CC)N(CC(C)C)S(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is FHVUHGGBCPUQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-13(6-2)17(11-12(3)4)20(18,19)15-10-8-7-9-14(15)16/h7-10,12-13H,5-6,11,16H2,1-4H3.
What are the key properties of 2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide?
2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 79484270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).