1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride

C15H24ClFN2O2S — CID 163331835

IUPAC1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride
SMILESCC(C)CCN1CCN(S(=O)(=O)c2ccccc2F)CC1.Cl
InChIInChI=1S/C15H23FN2O2S.ClH/c1-13(2)7-8-17-9-11-18(12-10-17)21(19,20)15-6-4-3-5-14(15)16;/h3-6,13H,7-12H2,1-2H3;1H
InChIKeyCALBEACWWGFQOR-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.60
Rot. Bonds5

About 1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride

1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride (PubChem CID 163331835) has the molecular formula C15H24ClFN2O2S and a molecular weight of 350.89 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride
PubChem CID163331835
Molecular FormulaC15H24ClFN2O2S
Molecular Weight350.89 g/mol
Exact Mass350.12
IUPAC Name1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride
SMILESCC(C)CCN1CCN(S(=O)(=O)c2ccccc2F)CC1.Cl
InChIInChI=1S/C15H23FN2O2S.ClH/c1-13(2)7-8-17-9-11-18(12-10-17)21(19,20)15-6-4-3-5-14(15)16;/h3-6,13H,7-12H2,1-2H3;1H
InChIKeyCALBEACWWGFQOR-UHFFFAOYSA-N
XLogP2.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)sulfonyl-4-pentylpiperazine
CID 45369127
1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 61046329
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
CID 40702187
(2S)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8749222
2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-6-phenylpyridazin-3-one
CID 30864679
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967
4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine
CID 61138449
1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine
CID 60540170
3-[4-(3-methylbutyl)piperazin-1-yl]sulfonylaniline
CID 61141113
N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 8690260
1-(4-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 2128103

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride (CID 163331835) is 1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride is CC(C)CCN1CCN(S(=O)(=O)c2ccccc2F)CC1.Cl.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride?
The InChIKey is CALBEACWWGFQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S.ClH/c1-13(2)7-8-17-9-11-18(12-10-17)21(19,20)15-6-4-3-5-14(15)16;/h3-6,13H,7-12H2,1-2H3;1H.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride?
1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride is sourced from PubChem (CID 163331835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).