N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide

C25H29N3O3S — CID 92669835

IUPACN-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N3O3S/c1-31-23-14-12-22(13-15-23)27-16-18-28(19-17-27)25(21-8-4-2-5-9-21)20-26-32(29,30)24-10-6-3-7-11-24/h2-15,25-26H,16-20H2,1H3/t25-/m1/s1
InChIKeyYYBDIJLGBFZCCM-RUZDIDTESA-N
MW451.59 g/mol
LogP3.54
Rot. Bonds8

About N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide

N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide (PubChem CID 92669835) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
PubChem CID92669835
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
SMILESCOc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N3O3S/c1-31-23-14-12-22(13-15-23)27-16-18-28(19-17-27)25(21-8-4-2-5-9-21)20-26-32(29,30)24-10-6-3-7-11-24/h2-15,25-26H,16-20H2,1H3/t25-/m1/s1
InChIKeyYYBDIJLGBFZCCM-RUZDIDTESA-N
XLogP3.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]-4-methylbenzenesulfonamide
CID 33054641
N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-4-methoxybenzenesulfonamide
CID 20962708
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8670105
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578232
4-bromo-N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 27443408
N-[(2S)-2-(4-benzhydrylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 1106178
N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 7087582
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631098
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4-nitrobenzenesulfonamide
CID 43971497
4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30631104
N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 23604903

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The IUPAC name of N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide (CID 92669835) is N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide is COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The InChIKey is YYBDIJLGBFZCCM-RUZDIDTESA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-31-23-14-12-22(13-15-23)27-16-18-28(19-17-27)25(21-8-4-2-5-9-21)20-26-32(29,30)24-10-6-3-7-11-24/h2-15,25-26H,16-20H2,1H3/t25-/m1/s1.
What are the key properties of N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide has a molecular weight of 451.59 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 92669835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).