1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride

C20H28ClFN2O2S — CID 163331836

IUPAC1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H27FN2O2S.ClH/c21-18-3-1-2-4-19(18)26(24,25)23-7-5-22(6-8-23)20-12-15-9-16(13-20)11-17(10-15)14-20;/h1-4,15-17H,5-14H2;1H
InChIKeyIDZSJXAMTUCVER-UHFFFAOYSA-N
MW414.97 g/mol
LogP3.52
Rot. Bonds3

About 1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride

1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride (PubChem CID 163331836) has the molecular formula C20H28ClFN2O2S and a molecular weight of 414.97 g/mol. Its IUPAC name is 1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride
PubChem CID163331836
Molecular FormulaC20H28ClFN2O2S
Molecular Weight414.97 g/mol
Exact Mass414.15
IUPAC Name1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H27FN2O2S.ClH/c21-18-3-1-2-4-19(18)26(24,25)23-7-5-22(6-8-23)20-12-15-9-16(13-20)11-17(10-15)14-20;/h1-4,15-17H,5-14H2;1H
InChIKeyIDZSJXAMTUCVER-UHFFFAOYSA-N
XLogP3.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.97
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 51169067
3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane
CID 62866197
1-cyclopentyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 45369149
(2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 78780160
1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 61046329
1-(4-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 2128103
1-(1-adamantyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 4264866
1-(1-adamantyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3239959
1-(1-adamantyl)-4-[3-(4-chlorophenyl)sulfonylphenyl]sulfonylpiperazine
CID 5026297
1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 51892276
1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 26527715

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride (CID 163331836) is 1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride is Cl.O=S(=O)(c1ccccc1F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is IDZSJXAMTUCVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2S.ClH/c21-18-3-1-2-4-19(18)26(24,25)23-7-5-22(6-8-23)20-12-15-9-16(13-20)11-17(10-15)14-20;/h1-4,15-17H,5-14H2;1H.
What are the key properties of 1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride?
1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 414.97 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 163331836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).