N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide

C13H21NO4S — CID 47387329

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C13H21NO4S/c1-5-8-19(15,16)14-10(2)12-7-6-11(17-3)9-13(12)18-4/h6-7,9-10,14H,5,8H2,1-4H3
InChIKeyAIHKPYVWHVTTTE-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.09
Rot. Bonds7

About N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide

N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide (PubChem CID 47387329) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide
PubChem CID47387329
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C13H21NO4S/c1-5-8-19(15,16)14-10(2)12-7-6-11(17-3)9-13(12)18-4/h6-7,9-10,14H,5,8H2,1-4H3
InChIKeyAIHKPYVWHVTTTE-UHFFFAOYSA-N
XLogP2.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]methanesulfonamide
CID 83083839
1-bromo-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 99616093
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629515
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 43674264
N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
CID 94661169
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol
CID 115722852
N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
CID 64644798
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide (CID 47387329) is N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NC(C)c1ccc(OC)cc1OC.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide?
The InChIKey is AIHKPYVWHVTTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-5-8-19(15,16)14-10(2)12-7-6-11(17-3)9-13(12)18-4/h6-7,9-10,14H,5,8H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 47387329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).