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

C21H28FN3O2S — CID 42389017

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H28FN3O2S/c22-20-9-4-5-10-21(20)25-16-14-24(15-17-25)13-6-12-23-28(26,27)18-11-19-7-2-1-3-8-19/h1-5,7-10,23H,6,11-18H2
InChIKeyPKKIWVIEYWNGHP-UHFFFAOYSA-N
MW405.54 g/mol
LogP2.50
Rot. Bonds9

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

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide (PubChem CID 42389017) has the molecular formula C21H28FN3O2S and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide
PubChem CID42389017
Molecular FormulaC21H28FN3O2S
Molecular Weight405.54 g/mol
Exact Mass405.19
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H28FN3O2S/c22-20-9-4-5-10-21(20)25-16-14-24(15-17-25)13-6-12-23-28(26,27)18-11-19-7-2-1-3-8-19/h1-5,7-10,23H,6,11-18H2
InChIKeyPKKIWVIEYWNGHP-UHFFFAOYSA-N
XLogP2.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 52.50
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-(4-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]methanesulfonamide
CID 42389081
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 29344564
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-4-propan-2-ylbenzenesulfonamide
CID 42389029
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388981
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethoxybenzenesulfonamide
CID 42388939
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
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(3-methylphenyl)acetamide
CID 42224298
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 27534631
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide (CID 42389017) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide?
The InChIKey is PKKIWVIEYWNGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2S/c22-20-9-4-5-10-21(20)25-16-14-24(15-17-25)13-6-12-23-28(26,27)18-11-19-7-2-1-3-8-19/h1-5,7-10,23H,6,11-18H2.
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide has a molecular weight of 405.54 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 42389017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).