3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium

C15H27N2O4S+ — CID 9263864

IUPAC3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium
SMILESCC[NH+](CC)CCCNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H26N2O4S/c1-5-17(6-2)11-7-10-16-22(18,19)13-8-9-14(20-3)15(12-13)21-4/h8-9,12,16H,5-7,10-11H2,1-4H3/p+1
InChIKeyRXEQCUSXNYHUAV-UHFFFAOYSA-O
MW331.46 g/mol
LogP0.30
Rot. Bonds10

About 3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium

3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium (PubChem CID 9263864) has the molecular formula C15H27N2O4S+ and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium
PubChem CID9263864
Molecular FormulaC15H27N2O4S+
Molecular Weight331.46 g/mol
Exact Mass331.17
IUPAC Name3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium
SMILESCC[NH+](CC)CCCNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H26N2O4S/c1-5-17(6-2)11-7-10-16-22(18,19)13-8-9-14(20-3)15(12-13)21-4/h8-9,12,16H,5-7,10-11H2,1-4H3/p+1
InChIKeyRXEQCUSXNYHUAV-UHFFFAOYSA-O
XLogP0.30
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.30
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-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide
CID 3376302
diethyl-[3-[(4-fluorophenyl)sulfonylamino]propyl]azanium chloride
CID 20787030
3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide
CID 110409185
3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 103918422
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844162
N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide
CID 110601561
diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium
CID 8511849
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120706784

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium (CID 9263864) is 3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium is CC[NH+](CC)CCCNS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium?
The InChIKey is RXEQCUSXNYHUAV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H26N2O4S/c1-5-17(6-2)11-7-10-16-22(18,19)13-8-9-14(20-3)15(12-13)21-4/h8-9,12,16H,5-7,10-11H2,1-4H3/p+1.
What are the key properties of 3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium?
3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium has a molecular weight of 331.46 g/mol, XLogP of 0.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium is sourced from PubChem (CID 9263864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).