N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide

C15H26N2O3S — CID 106054391

IUPACN-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccccc1S(=O)(=O)NC(C)COCC
InChIInChI=1S/C15H26N2O3S/c1-4-10-16-11-14-8-6-7-9-15(14)21(18,19)17-13(3)12-20-5-2/h6-9,13,16-17H,4-5,10-12H2,1-3H3
InChIKeyLDESIZFDEAIBTJ-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.89
Rot. Bonds10

About N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide

N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide (PubChem CID 106054391) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide
PubChem CID106054391
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccccc1S(=O)(=O)NC(C)COCC
InChIInChI=1S/C15H26N2O3S/c1-4-10-16-11-14-8-6-7-9-15(14)21(18,19)17-13(3)12-20-5-2/h6-9,13,16-17H,4-5,10-12H2,1-3H3
InChIKeyLDESIZFDEAIBTJ-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylsulfanylpropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide
CID 106083415
N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957316
N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide
CID 106002518
2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 106067499
2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide
CID 106066744
2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053747
2-methyl-N-pentan-3-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106032068
2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 114142081
N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106019677
2-(methylaminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 106008883
N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62158251
N-(1-methylsulfanylpropan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106079555

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide (CID 106054391) is N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide is CCCNCc1ccccc1S(=O)(=O)NC(C)COCC.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide?
The InChIKey is LDESIZFDEAIBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-10-16-11-14-8-6-7-9-15(14)21(18,19)17-13(3)12-20-5-2/h6-9,13,16-17H,4-5,10-12H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide?
N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106054391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).