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

C20H25Cl2N3O2S — CID 42388921

IUPAC1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25Cl2N3O2S/c21-18-5-7-20(8-6-18)25-13-11-24(12-14-25)10-2-9-23-28(26,27)16-17-3-1-4-19(22)15-17/h1,3-8,15,23H,2,9-14,16H2
InChIKeyUBFSLFUZVLXCDM-UHFFFAOYSA-N
MW442.41 g/mol
LogP3.63
Rot. Bonds8

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

1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide (PubChem CID 42388921) has the molecular formula C20H25Cl2N3O2S and a molecular weight of 442.41 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide
PubChem CID42388921
Molecular FormulaC20H25Cl2N3O2S
Molecular Weight442.41 g/mol
Exact Mass441.10
IUPAC Name1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25Cl2N3O2S/c21-18-5-7-20(8-6-18)25-13-11-24(12-14-25)10-2-9-23-28(26,27)16-17-3-1-4-19(22)15-17/h1,3-8,15,23H,2,9-14,16H2
InChIKeyUBFSLFUZVLXCDM-UHFFFAOYSA-N
XLogP3.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.41
LogP ≤ 53.63
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

1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
CID 16890660
2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42388791
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethylbenzenesulfonamide
CID 42388771
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344503
1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide
CID 90522760
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluoro-3-methylbenzenesulfonamide
CID 42388861
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoline-3-sulfonamide;hydrochloride
CID 57391157
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 29344635
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]isoquinoline-4-sulfonamide;hydrochloride
CID 57398618
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388817
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide
CID 42267989

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide (CID 42388921) is 1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)NCCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide?
The InChIKey is UBFSLFUZVLXCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O2S/c21-18-5-7-20(8-6-18)25-13-11-24(12-14-25)10-2-9-23-28(26,27)16-17-3-1-4-19(22)15-17/h1,3-8,15,23H,2,9-14,16H2.
What are the key properties of 1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide has a molecular weight of 442.41 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 42388921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).