1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine

C24H22F4N2O2S — CID 92772560

IUPAC1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H22F4N2O2S/c25-21-11-9-19(10-12-21)23(18-5-2-1-3-6-18)29-13-15-30(16-14-29)33(31,32)22-8-4-7-20(17-22)24(26,27)28/h1-12,17,23H,13-16H2
InChIKeyXQQWRBQQWMNNNU-UHFFFAOYSA-N
MW478.51 g/mol
LogP4.94
Rot. Bonds5

About 1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine

1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 92772560) has the molecular formula C24H22F4N2O2S and a molecular weight of 478.51 g/mol. Its IUPAC name is 1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID92772560
Molecular FormulaC24H22F4N2O2S
Molecular Weight478.51 g/mol
Exact Mass478.13
IUPAC Name1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H22F4N2O2S/c25-21-11-9-19(10-12-21)23(18-5-2-1-3-6-18)29-13-15-30(16-14-29)33(31,32)22-8-4-7-20(17-22)24(26,27)28/h1-12,17,23H,13-16H2
InChIKeyXQQWRBQQWMNNNU-UHFFFAOYSA-N
XLogP4.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30493587
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-one
CID 10709847
1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine
CID 92772065
1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 4646092
4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 121187233
1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine
CID 92770848
4-(4-fluorophenyl)-6-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121107500
1-(2,6-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3701613
2-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)acetonitrile
CID 110349642
1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 45352676
1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
CID 46102646

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 92772560) is 1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is XQQWRBQQWMNNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O2S/c25-21-11-9-19(10-12-21)23(18-5-2-1-3-6-18)29-13-15-30(16-14-29)33(31,32)22-8-4-7-20(17-22)24(26,27)28/h1-12,17,23H,13-16H2.
What are the key properties of 1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 478.51 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-fluorophenyl)-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 92772560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).