2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide

C14H23ClN2O2S — CID 103901960

IUPAC2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide
SMILESCCCC(NCCS(=O)(=O)NCC)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2O2S/c1-3-5-14(12-6-8-13(15)9-7-12)16-10-11-20(18,19)17-4-2/h6-9,14,16-17H,3-5,10-11H2,1-2H3
InChIKeyONBLRLYZZWPCRP-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.71
Rot. Bonds9

About 2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide

2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide (PubChem CID 103901960) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide
PubChem CID103901960
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide
SMILESCCCC(NCCS(=O)(=O)NCC)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2O2S/c1-3-5-14(12-6-8-13(15)9-7-12)16-10-11-20(18,19)17-4-2/h6-9,14,16-17H,3-5,10-11H2,1-2H3
InChIKeyONBLRLYZZWPCRP-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide
CID 103776590
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
4-[1-(4-chlorophenyl)butylamino]butanamide
CID 60863570
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
N-[1-(4-chlorophenyl)butyl]-N',N'-diethylpropane-1,3-diamine
CID 43102215
N-ethyl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanesulfonamide
CID 106334344
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
CID 63454308

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide (CID 103901960) is 2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide is CCCC(NCCS(=O)(=O)NCC)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide?
The InChIKey is ONBLRLYZZWPCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S/c1-3-5-14(12-6-8-13(15)9-7-12)16-10-11-20(18,19)17-4-2/h6-9,14,16-17H,3-5,10-11H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide?
2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide has a molecular weight of 318.87 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide is sourced from PubChem (CID 103901960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).