2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide

C30H26F3N3O3S — CID 172720889

IUPAC2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C30H26F3N3O3S/c31-30(32,33)23-9-6-10-25(21-23)35-17-19-36(20-18-35)40(38,39)26-15-13-24(14-16-26)34-29(37)28-12-5-4-11-27(28)22-7-2-1-3-8-22/h1-16,21H,17-20H2,(H,34,37)
InChIKeyGMQJPFOTNOSPGO-UHFFFAOYSA-N
MW565.62 g/mol
LogP6.14
Rot. Bonds6

About 2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide

2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide (PubChem CID 172720889) has the molecular formula C30H26F3N3O3S and a molecular weight of 565.62 g/mol. Its IUPAC name is 2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide
PubChem CID172720889
Molecular FormulaC30H26F3N3O3S
Molecular Weight565.62 g/mol
Exact Mass565.16
IUPAC Name2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C30H26F3N3O3S/c31-30(32,33)23-9-6-10-25(21-23)35-17-19-36(20-18-35)40(38,39)26-15-13-24(14-16-26)34-29(37)28-12-5-4-11-27(28)22-7-2-1-3-8-22/h1-16,21H,17-20H2,(H,34,37)
InChIKeyGMQJPFOTNOSPGO-UHFFFAOYSA-N
XLogP6.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.62
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 32937290
1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 43909753
3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
CID 151250225
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-phenyl-5-(trifluoromethyl)benzamide
CID 160823841
2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 4857710
5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylisoindole-1,3-dione
CID 56561984
1-(4-fluoro-3-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 100695438
N-[4-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]-3-piperazin-1-ylbenzamide
CID 169172461
2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid
CID 71086455
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
CID 44547277
N-[4-(dimethylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 1485505

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide?
The IUPAC name of 2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide (CID 172720889) is 2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide.
What is the SMILES notation for 2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide?
The canonical SMILES for 2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide?
The InChIKey is GMQJPFOTNOSPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N3O3S/c31-30(32,33)23-9-6-10-25(21-23)35-17-19-36(20-18-35)40(38,39)26-15-13-24(14-16-26)34-29(37)28-12-5-4-11-27(28)22-7-2-1-3-8-22/h1-16,21H,17-20H2,(H,34,37).
What are the key properties of 2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide?
2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide has a molecular weight of 565.62 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide is sourced from PubChem (CID 172720889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).