N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide

C12H19NO4S — CID 166983040

IUPACN-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H19NO4S/c1-4-17-10(2)9-13-18(14,15)12-7-5-11(16-3)6-8-12/h5-8,10,13H,4,9H2,1-3H3
InChIKeyQDZYHWMICFYJAC-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.40
Rot. Bonds7

About N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide

N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide (PubChem CID 166983040) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
PubChem CID166983040
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H19NO4S/c1-4-17-10(2)9-13-18(14,15)12-7-5-11(16-3)6-8-12/h5-8,10,13H,4,9H2,1-3H3
InChIKeyQDZYHWMICFYJAC-UHFFFAOYSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide
CID 115650655
4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078716
3-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 54144139
6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683360
3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078885
N-(2-chloro-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 45101977
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7828136

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide (CID 166983040) is N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide is CCOC(C)CNS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide?
The InChIKey is QDZYHWMICFYJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-4-17-10(2)9-13-18(14,15)12-7-5-11(16-3)6-8-12/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide?
N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 166983040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).