2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline

C19H22Cl2N2OS — CID 10572878

IUPAC2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline
SMILESClc1ccc(Sc2ccccc2NCCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2OS/c20-15-6-7-18(16(21)14-15)25-19-5-2-1-4-17(19)22-8-3-9-23-10-12-24-13-11-23/h1-2,4-7,14,22H,3,8-13H2
InChIKeyWPBDKMFHMPORIP-UHFFFAOYSA-N
MW397.37 g/mol
LogP5.28
Rot. Bonds7

About 2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline

2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline (PubChem CID 10572878) has the molecular formula C19H22Cl2N2OS and a molecular weight of 397.37 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline
PubChem CID10572878
Molecular FormulaC19H22Cl2N2OS
Molecular Weight397.37 g/mol
Exact Mass396.08
IUPAC Name2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline
SMILESClc1ccc(Sc2ccccc2NCCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2OS/c20-15-6-7-18(16(21)14-15)25-19-5-2-1-4-17(19)22-8-3-9-23-10-12-24-13-11-23/h1-2,4-7,14,22H,3,8-13H2
InChIKeyWPBDKMFHMPORIP-UHFFFAOYSA-N
XLogP5.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.37
LogP ≤ 55.28
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

4-[4-(2-Chlorophenothiazin-10-yl)butyl]morpholine
CID 131953892
1-[2-(4-Chlorophenyl)sulfanylphenyl]piperazine;hydrochloride
CID 53237438
1-[2-(2,4-Dichlorophenyl)sulfanylphenyl]piperazine;hydrochloride
CID 53237902
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide
CID 2091420
Morpholine, 4-(3-(N-(2-((p-chlorophenyl)thio)ethyl)anilino)propyl)-
CID 198945
Morpholine, 4-(2-(N-(2-((p-chlorophenyl)thio)ethyl)anilino)ethyl)-
CID 3024717
Piperidine, 1-(3-(4-chloro-2-((p-chlorophenyl)thio)anilino)propyl)-, monohydrochloride
CID 3048632
Piperidine, 1-(3-(5-chloro-2-((p-chlorophenyl)thio)anilino)propyl)-, monohydrochloride, hemihydrate
CID 3064273
5-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)aniline
CID 3064274
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylsulfanylaniline
CID 9999559
N-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-3-(4-methyl-piperazin-1-yl)-propionamide
CID 10502430
N-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-3-dimethylamino-propionamide
CID 10547048

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline (CID 10572878) is 2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline is Clc1ccc(Sc2ccccc2NCCCN2CCOCC2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline?
The InChIKey is WPBDKMFHMPORIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2OS/c20-15-6-7-18(16(21)14-15)25-19-5-2-1-4-17(19)22-8-3-9-23-10-12-24-13-11-23/h1-2,4-7,14,22H,3,8-13H2.
What are the key properties of 2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline?
2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline has a molecular weight of 397.37 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)aniline is sourced from PubChem (CID 10572878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).