N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide

C14H23ClN2O2S — CID 103776590

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

About N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide

N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide (PubChem CID 103776590) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide
PubChem CID103776590
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC NameN-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide
SMILESCCCC(NCCCNS(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2O2S/c1-3-5-14(12-6-8-13(15)9-7-12)16-10-4-11-17-20(2,18)19/h6-9,14,16-17H,3-5,10-11H2,1-2H3
InChIKeyFLTKYYMFVADAHC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1-phenylpentylamino)propyl]methanesulfonamide
CID 103716746
2-[1-(4-chlorophenyl)butylamino]-N-ethylethanesulfonamide
CID 103901960
4-[1-(4-chlorophenyl)butylamino]butanamide
CID 60863570
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
N-[3-[1-(4-bromophenyl)propylamino]propyl]methanesulfonamide
CID 103776673
N-[1-(4-chlorophenyl)butyl]-N',N'-diethylpropane-1,3-diamine
CID 43102215
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide
CID 79377021
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol
CID 65031721
5-[1-(4-chlorophenyl)propylamino]pentan-2-ol
CID 107270366

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide (CID 103776590) is N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide is CCCC(NCCCNS(C)(=O)=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide?
The InChIKey is FLTKYYMFVADAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S/c1-3-5-14(12-6-8-13(15)9-7-12)16-10-4-11-17-20(2,18)19/h6-9,14,16-17H,3-5,10-11H2,1-2H3.
What are the key properties of N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide?
N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide 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 N-[3-[1-(4-chlorophenyl)butylamino]propyl]methanesulfonamide is sourced from PubChem (CID 103776590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).