1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine

C24H26N2O3S — CID 71691327

IUPAC1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1cccc(COc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H26N2O3S/c27-30(28,26-16-14-25(15-17-26)19-21-8-3-1-4-9-21)24-13-7-10-22(18-24)20-29-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2
InChIKeyVQDPTQXSVNGQFT-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.77
Rot. Bonds7

About 1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine

1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine (PubChem CID 71691327) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine
PubChem CID71691327
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1cccc(COc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H26N2O3S/c27-30(28,26-16-14-25(15-17-26)19-21-8-3-1-4-9-21)24-13-7-10-22(18-24)20-29-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2
InChIKeyVQDPTQXSVNGQFT-UHFFFAOYSA-N
XLogP3.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(phenoxymethyl)phenyl]sulfonylazepane
CID 71691343
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
CID 31699946
1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 8757842
1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17365974
3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-ethoxyphenyl)benzamide
CID 26915695
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698
1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 8746856

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine (CID 71691327) is 1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1cccc(COc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine?
The InChIKey is VQDPTQXSVNGQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c27-30(28,26-16-14-25(15-17-26)19-21-8-3-1-4-9-21)24-13-7-10-22(18-24)20-29-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2.
What are the key properties of 1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine?
1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine has a molecular weight of 422.55 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 71691327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).