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

C12H19NO3S — CID 62048746

IUPACN-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C12H19NO3S/c1-9(2)17(14,15)13-10(3)11-5-7-12(16-4)8-6-11/h5-10,13H,1-4H3
InChIKeyMEARRVGSFRUQJS-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.08
Rot. Bonds5

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

N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide (PubChem CID 62048746) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
PubChem CID62048746
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C12H19NO3S/c1-9(2)17(14,15)13-10(3)11-5-7-12(16-4)8-6-11/h5-10,13H,1-4H3
InChIKeyMEARRVGSFRUQJS-UHFFFAOYSA-N
XLogP2.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid
CID 81370607
N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide
CID 81357180
1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 107858721
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide
CID 101411108
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide (CID 62048746) is N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide is COc1ccc(C(C)NS(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide?
The InChIKey is MEARRVGSFRUQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(2)17(14,15)13-10(3)11-5-7-12(16-4)8-6-11/h5-10,13H,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide?
N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 62048746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).