2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine

C14H22ClNO3S — CID 106512607

IUPAC2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine
SMILESCCCCOCCNCCS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO3S/c1-2-3-10-19-11-8-16-9-12-20(17,18)14-7-5-4-6-13(14)15/h4-7,16H,2-3,8-12H2,1H3
InChIKeyNWFRATBZFREDFL-UHFFFAOYSA-N
MW319.85 g/mol
LogP2.52
Rot. Bonds10

About 2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine

2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine (PubChem CID 106512607) has the molecular formula C14H22ClNO3S and a molecular weight of 319.85 g/mol. Its IUPAC name is 2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine
PubChem CID106512607
Molecular FormulaC14H22ClNO3S
Molecular Weight319.85 g/mol
Exact Mass319.10
IUPAC Name2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine
SMILESCCCCOCCNCCS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO3S/c1-2-3-10-19-11-8-16-9-12-20(17,18)14-7-5-4-6-13(14)15/h4-7,16H,2-3,8-12H2,1H3
InChIKeyNWFRATBZFREDFL-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.85
LogP ≤ 52.52
H-Bond Donors ≤ 51
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-(2-chlorophenyl)sulfonylethyl]-4-methylpentan-1-amine
CID 106512674
2-chloro-N-(2-pentoxyethyl)aniline
CID 62583761
2-(2-butoxyethylamino)benzenesulfonamide
CID 61169915
2-(2-chlorophenyl)sulfonylethyl formate
CID 19697051
N-(3-propoxypropyl)-2-propylsulfonylaniline
CID 82943087
N-[2-(2-chlorophenyl)sulfonylethyl]-2-thiophen-3-ylethanamine
CID 106512644
2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587196
methyl 4-(2-chlorophenyl)sulfonylbutanoate
CID 43378385
N-(2-butoxyethyl)-3-chloro-2-methylaniline
CID 61482959
N-(2-butoxyethyl)-2-(3-chloroindol-1-yl)ethanamine
CID 62803775
methyl 2-(2-butoxyethylsulfamoyl)benzoate
CID 103833549
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine
CID 104561861

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine (CID 106512607) is 2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine is CCCCOCCNCCS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine?
The InChIKey is NWFRATBZFREDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3S/c1-2-3-10-19-11-8-16-9-12-20(17,18)14-7-5-4-6-13(14)15/h4-7,16H,2-3,8-12H2,1H3.
What are the key properties of 2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine?
2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine has a molecular weight of 319.85 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine is sourced from PubChem (CID 106512607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).