N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide

C13H22N2O4S — CID 106047695

IUPACN-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C13H22N2O4S/c1-4-14-8-5-9-20(16,17)15-12-7-6-11(18-2)10-13(12)19-3/h6-7,10,14-15H,4-5,8-9H2,1-3H3
InChIKeyGNJRKIHIXWYSQR-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.45
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide

N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide (PubChem CID 106047695) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
PubChem CID106047695
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C13H22N2O4S/c1-4-14-8-5-9-20(16,17)15-12-7-6-11(18-2)10-13(12)19-3/h6-7,10,14-15H,4-5,8-9H2,1-3H3
InChIKeyGNJRKIHIXWYSQR-UHFFFAOYSA-N
XLogP1.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-N-(4-methoxy-2-methylphenyl)propane-1-sulfonamide
CID 106056028
N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106058751
N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
CID 110756497
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106087751
N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106076725
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid
CID 28774020
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
N-(5-chloro-2-methoxyphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106059590
N-[(2,4-dimethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905855
2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
CID 112999249

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide (CID 106047695) is N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide is CCNCCCS(=O)(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide?
The InChIKey is GNJRKIHIXWYSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-4-14-8-5-9-20(16,17)15-12-7-6-11(18-2)10-13(12)19-3/h6-7,10,14-15H,4-5,8-9H2,1-3H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide?
N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide is sourced from PubChem (CID 106047695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).