1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride

C18H22ClFN2O2S — CID 163331829

IUPAC1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride
SMILESCc1ccc(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1.Cl
InChIInChI=1S/C18H21FN2O2S.ClH/c1-15-5-7-16(8-6-15)14-20-9-11-21(12-10-20)24(22,23)18-4-2-3-17(19)13-18;/h2-8,13H,9-12,14H2,1H3;1H
InChIKeyOQMPQPFJVAMELE-UHFFFAOYSA-N
MW384.90 g/mol
LogP3.06
Rot. Bonds4

About 1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride

1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride (PubChem CID 163331829) has the molecular formula C18H22ClFN2O2S and a molecular weight of 384.90 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride
PubChem CID163331829
Molecular FormulaC18H22ClFN2O2S
Molecular Weight384.90 g/mol
Exact Mass384.11
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride
SMILESCc1ccc(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1.Cl
InChIInChI=1S/C18H21FN2O2S.ClH/c1-15-5-7-16(8-6-15)14-20-9-11-21(12-10-20)24(22,23)18-4-2-3-17(19)13-18;/h2-8,13H,9-12,14H2,1H3;1H
InChIKeyOQMPQPFJVAMELE-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.90
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-chloro-3-pyridinyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine
CID 31035968
1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine
CID 6734618
1-(3-fluorophenyl)sulfonyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 31774817
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443809
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 7769572
(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
CID 4994124
1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 17338187
N-(2-bromo-4-methylphenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27217788
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol
CID 2663725

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride (CID 163331829) is 1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride is Cc1ccc(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1.Cl.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride?
The InChIKey is OQMPQPFJVAMELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S.ClH/c1-15-5-7-16(8-6-15)14-20-9-11-21(12-10-20)24(22,23)18-4-2-3-17(19)13-18;/h2-8,13H,9-12,14H2,1H3;1H.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride?
1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride has a molecular weight of 384.90 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 163331829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).