N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide

C25H26FN3O3S — CID 29196125

IUPACN-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
SMILESO=C(NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26FN3O3S/c26-23-10-12-24(13-11-23)33(31,32)29-18-16-28(17-19-29)15-14-27-25(30)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h1-13H,14-19H2,(H,27,30)
InChIKeyNQMUFNRVRVXYOU-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.23
Rot. Bonds7

About N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide

N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide (PubChem CID 29196125) has the molecular formula C25H26FN3O3S and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
PubChem CID29196125
Molecular FormulaC25H26FN3O3S
Molecular Weight467.57 g/mol
Exact Mass467.17
IUPAC NameN-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
SMILESO=C(NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26FN3O3S/c26-23-10-12-24(13-11-23)33(31,32)29-18-16-28(17-19-29)15-14-27-25(30)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h1-13H,14-19H2,(H,27,30)
InChIKeyNQMUFNRVRVXYOU-UHFFFAOYSA-N
XLogP3.23
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 29195438
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 34999302
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide
CID 29195584
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 20933692
3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 20933689
2-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196348
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 29196259
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 29195944
2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571824
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200300
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 29195699

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide (CID 29196125) is N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide is O=C(NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide?
The InChIKey is NQMUFNRVRVXYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3S/c26-23-10-12-24(13-11-23)33(31,32)29-18-16-28(17-19-29)15-14-27-25(30)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h1-13H,14-19H2,(H,27,30).
What are the key properties of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide?
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide has a molecular weight of 467.57 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide is sourced from PubChem (CID 29196125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).