1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine

C16H24FN3O2S — CID 120902403

IUPAC1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
SMILESCC1(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCNC1
InChIInChI=1S/C16H24FN3O2S/c1-16(6-7-18-12-16)13-19-8-10-20(11-9-19)23(21,22)15-4-2-14(17)3-5-15/h2-5,18H,6-13H2,1H3
InChIKeyBFWWBWSNVZRBAL-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.13
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine

1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine (PubChem CID 120902403) has the molecular formula C16H24FN3O2S and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
PubChem CID120902403
Molecular FormulaC16H24FN3O2S
Molecular Weight341.45 g/mol
Exact Mass341.16
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
SMILESCC1(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCNC1
InChIInChI=1S/C16H24FN3O2S/c1-16(6-7-18-12-16)13-19-8-10-20(11-9-19)23(21,22)15-4-2-14(17)3-5-15/h2-5,18H,6-13H2,1H3
InChIKeyBFWWBWSNVZRBAL-UHFFFAOYSA-N
XLogP1.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120902495
1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898489
1-(2,3-difluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120900542
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one
CID 120905183
1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine
CID 120905754
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898158
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanethioamide
CID 63336604
1-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 15997423
1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 110290651

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine (CID 120902403) is 1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine is CC1(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCNC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
The InChIKey is BFWWBWSNVZRBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2S/c1-16(6-7-18-12-16)13-19-8-10-20(11-9-19)23(21,22)15-4-2-14(17)3-5-15/h2-5,18H,6-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine has a molecular weight of 341.45 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine is sourced from PubChem (CID 120902403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).