1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine

C25H25F3N2O3S — CID 92772886

IUPAC1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
SMILESCc1ccc(C(c2ccccc2)N2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)cc1
InChIInChI=1S/C25H25F3N2O3S/c1-19-11-13-21(14-12-19)24(20-7-3-2-4-8-20)29-15-17-30(18-16-29)34(31,32)23-10-6-5-9-22(23)33-25(26,27)28/h2-14,24H,15-18H2,1H3
InChIKeyBCBNDZJMIJAMJS-UHFFFAOYSA-N
MW490.55 g/mol
LogP4.99
Rot. Bonds6

About 1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine

1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine (PubChem CID 92772886) has the molecular formula C25H25F3N2O3S and a molecular weight of 490.55 g/mol. Its IUPAC name is 1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
PubChem CID92772886
Molecular FormulaC25H25F3N2O3S
Molecular Weight490.55 g/mol
Exact Mass490.15
IUPAC Name1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
SMILESCc1ccc(C(c2ccccc2)N2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)cc1
InChIInChI=1S/C25H25F3N2O3S/c1-19-11-13-21(14-12-19)24(20-7-3-2-4-8-20)29-15-17-30(18-16-29)34(31,32)23-10-6-5-9-22(23)33-25(26,27)28/h2-14,24H,15-18H2,1H3
InChIKeyBCBNDZJMIJAMJS-UHFFFAOYSA-N
XLogP4.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 55512284
1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine
CID 92772065
1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine
CID 92772321
3-(4-benzhydrylpiperazin-1-yl)sulfonyl-4-methoxybenzoic acid
CID 3982835
4-methyl-N-(4-methylphenyl)-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 122348539
1-(3-chlorophenyl)sulfonyl-4-[(S)-(4-methylphenyl)-phenylmethyl]piperazine
CID 92770848
6-methyl-N-(4-methylphenyl)-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 122346524
2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55601255
1-[(4-tert-butylphenyl)methyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 3548702
N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 3820684
3-piperidin-1-yl-6-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazine
CID 122334805
N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 31109375

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine (CID 92772886) is 1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine is Cc1ccc(C(c2ccccc2)N2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)cc1.
What is the InChIKey of 1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The InChIKey is BCBNDZJMIJAMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O3S/c1-19-11-13-21(14-12-19)24(20-7-3-2-4-8-20)29-15-17-30(18-16-29)34(31,32)23-10-6-5-9-22(23)33-25(26,27)28/h2-14,24H,15-18H2,1H3.
What are the key properties of 1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine?
1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine has a molecular weight of 490.55 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine is sourced from PubChem (CID 92772886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).