1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine

C20H21FN2O2S — CID 39911950

IUPAC1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(C1=Cc2ccccc2CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O2S/c21-18-6-8-19(9-7-18)22-11-13-23(14-12-22)26(24,25)20-10-5-16-3-1-2-4-17(16)15-20/h1-4,6-9,15H,5,10-14H2
InChIKeyMBCBHYAODWIGBS-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.26
Rot. Bonds3

About 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine

1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine (PubChem CID 39911950) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine
PubChem CID39911950
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(C1=Cc2ccccc2CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O2S/c21-18-6-8-19(9-7-18)22-11-13-23(14-12-22)26(24,25)20-10-5-16-3-1-2-4-17(16)15-20/h1-4,6-9,15H,5,10-14H2
InChIKeyMBCBHYAODWIGBS-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Tert-butylbenzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 1041738
1-(Benzylsulfonyl)-4-phenylpiperazine
CID 871639
1-(4-Tert-butylbenzenesulfonyl)-4-(2-fluorophenyl)piperazine
CID 1277351
Arylsulfonylpiperazine, 28
CID 44237029
N-(Cyclohexylmethyl)-N-(3-(4-(4-fluorophenyl)piperazin-1-yl)propyl)naphthalene-2-sulfonamide
CID 46232653
1-[(3,4-Dimethylphenyl)sulfonyl]-4-phenylpiperazine
CID 786037
5-fluoro-2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738594
1-[(4-Fluoro-3-methylphenyl)sulfonyl]-4-(2-methylphenyl)piperazine
CID 1259136
1-Benzenesulfonyl-4-o-tolyl-piperazine
CID 740952
1-(2-Methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine
CID 6468408
N-[3-(4-phenyl-1,2,3,6-tetrahydropyridyl)propyl]-N-phenylbenzenesulphonamide
CID 15710745
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89700962

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine (CID 39911950) is 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine is O=S(=O)(C1=Cc2ccccc2CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine?
The InChIKey is MBCBHYAODWIGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c21-18-6-8-19(9-7-18)22-11-13-23(14-12-22)26(24,25)20-10-5-16-3-1-2-4-17(16)15-20/h1-4,6-9,15H,5,10-14H2.
What are the key properties of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine?
1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine has a molecular weight of 372.47 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 39911950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).