1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine

C23H21F3N2O3S — CID 43909753

IUPAC1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESO=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H21F3N2O3S/c24-23(25,26)18-5-4-6-19(17-18)27-13-15-28(16-14-27)32(29,30)22-11-9-21(10-12-22)31-20-7-2-1-3-8-20/h1-12,17H,13-16H2
InChIKeyNVHCDVDHKVNYDT-UHFFFAOYSA-N
MW462.49 g/mol
LogP5.01
Rot. Bonds5

About 1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine

1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 43909753) has the molecular formula C23H21F3N2O3S and a molecular weight of 462.49 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID43909753
Molecular FormulaC23H21F3N2O3S
Molecular Weight462.49 g/mol
Exact Mass462.12
IUPAC Name1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESO=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H21F3N2O3S/c24-23(25,26)18-5-4-6-19(17-18)27-13-15-28(16-14-27)32(29,30)22-11-9-21(10-12-22)31-20-7-2-1-3-8-20/h1-12,17H,13-16H2
InChIKeyNVHCDVDHKVNYDT-UHFFFAOYSA-N
XLogP5.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.49
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 32937290
1-(4-fluoro-3-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 100695438
5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylisoindole-1,3-dione
CID 56561984
2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide
CID 172720889
1-(2,4,5-trichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3286417
1-(4-methoxy-2-nitrophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 31066314
4-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylaniline
CID 21314935
1-(4-phenoxyphenyl)sulfonylpiperidine
CID 779936
2,4-dichloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenol
CID 3810711
1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756188
2-phenoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 3554555
1-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 100772328

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine (CID 43909753) is 1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine is O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is NVHCDVDHKVNYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3S/c24-23(25,26)18-5-4-6-19(17-18)27-13-15-28(16-14-27)32(29,30)22-11-9-21(10-12-22)31-20-7-2-1-3-8-20/h1-12,17H,13-16H2.
What are the key properties of 1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 462.49 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 43909753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).