N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide

C14H24N2O3S — CID 62349082

IUPACN-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide
SMILESCCCNCCOc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-9-15-10-11-19-13-5-7-14(8-6-13)20(17,18)16-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyNLWUHRXVGMCTHD-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.75
Rot. Bonds9

About N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide

N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide (PubChem CID 62349082) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide
PubChem CID62349082
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide
SMILESCCCNCCOc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-9-15-10-11-19-13-5-7-14(8-6-13)20(17,18)16-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyNLWUHRXVGMCTHD-UHFFFAOYSA-N
XLogP1.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.75
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-[2-(4-methylsulfonylphenoxy)ethyl]propan-1-amine
CID 43807211
4-[2-(methylamino)ethoxy]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053680
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
CID 28879106
4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide
CID 64574697
4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715981
N-[2-(4-methylsulfonylphenoxy)ethyl]butan-1-amine
CID 62584720
N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide
CID 106056940
4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide
CID 106058279
4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 24785114
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide
CID 60687796
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
N-[2-(4-nitrophenoxy)ethyl]propan-1-amine;hydrochloride
CID 70552691

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide?
The IUPAC name of N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide (CID 62349082) is N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide.
What is the SMILES notation for N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide?
The canonical SMILES for N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide is CCCNCCOc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide?
The InChIKey is NLWUHRXVGMCTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-9-15-10-11-19-13-5-7-14(8-6-13)20(17,18)16-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3.
What are the key properties of N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide?
N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide is sourced from PubChem (CID 62349082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).