N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide

C18H23ClN2O3S — CID 75455958

IUPACN-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide
SMILESCC(NCCCOc1cccc(Cl)c1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H23ClN2O3S/c1-14(15-6-3-8-17(12-15)21-25(2,22)23)20-10-5-11-24-18-9-4-7-16(19)13-18/h3-4,6-9,12-14,20-21H,5,10-11H2,1-2H3
InChIKeyWUCZBEULYQMSPL-UHFFFAOYSA-N
MW382.91 g/mol
LogP3.83
Rot. Bonds9

About N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide

N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide (PubChem CID 75455958) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide
PubChem CID75455958
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC NameN-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide
SMILESCC(NCCCOc1cccc(Cl)c1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H23ClN2O3S/c1-14(15-6-3-8-17(12-15)21-25(2,22)23)20-10-5-11-24-18-9-4-7-16(19)13-18/h3-4,6-9,12-14,20-21H,5,10-11H2,1-2H3
InChIKeyWUCZBEULYQMSPL-UHFFFAOYSA-N
XLogP3.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 81372354
N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine
CID 63491866
N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18119830
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721510
N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide
CID 75444196
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 2184702
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208
N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
CID 43508153

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide (CID 75455958) is N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide is CC(NCCCOc1cccc(Cl)c1)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide?
The InChIKey is WUCZBEULYQMSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3S/c1-14(15-6-3-8-17(12-15)21-25(2,22)23)20-10-5-11-24-18-9-4-7-16(19)13-18/h3-4,6-9,12-14,20-21H,5,10-11H2,1-2H3.
What are the key properties of N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide?
N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide has a molecular weight of 382.91 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 75455958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).