1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide

C20H25F2N3O2S — CID 42389081

IUPAC1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H25F2N3O2S/c21-18-8-6-17(7-9-18)16-28(26,27)23-10-3-11-24-12-14-25(15-13-24)20-5-2-1-4-19(20)22/h1-2,4-9,23H,3,10-16H2
InChIKeyOOGKLKPZAFBFLX-UHFFFAOYSA-N
MW409.50 g/mol
LogP2.60
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide

1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide (PubChem CID 42389081) has the molecular formula C20H25F2N3O2S and a molecular weight of 409.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide
PubChem CID42389081
Molecular FormulaC20H25F2N3O2S
Molecular Weight409.50 g/mol
Exact Mass409.16
IUPAC Name1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H25F2N3O2S/c21-18-8-6-17(7-9-18)16-28(26,27)23-10-3-11-24-12-14-25(15-13-24)20-5-2-1-4-19(20)22/h1-2,4-9,23H,3,10-16H2
InChIKeyOOGKLKPZAFBFLX-UHFFFAOYSA-N
XLogP2.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 52.60
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

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide
CID 42389017
2-(4-fluorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42267208
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-4-propan-2-ylbenzenesulfonamide
CID 42389029
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388981
methyl 4-[3-(4-phenylpiperazin-1-yl)propylsulfamoylmethyl]benzoate
CID 140904101
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethoxybenzenesulfonamide
CID 42388939
1-(4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892839
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
4-ethoxy-3-fluoro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42389063
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide (CID 42389081) is 1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide?
The InChIKey is OOGKLKPZAFBFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O2S/c21-18-8-6-17(7-9-18)16-28(26,27)23-10-3-11-24-12-14-25(15-13-24)20-5-2-1-4-19(20)22/h1-2,4-9,23H,3,10-16H2.
What are the key properties of 1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide has a molecular weight of 409.50 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 42389081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).