(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol

C20H26N2O4S — CID 2440202

IUPAC(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol
SMILESCc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O4S/c1-17-7-9-20(10-8-17)27(24,25)22-13-11-21(12-14-22)15-18(23)16-26-19-5-3-2-4-6-19/h2-10,18,23H,11-16H2,1H3/t18-/m0/s1
InChIKeyBJTRBPVPNAJYIF-SFHVURJKSA-N
MW390.51 g/mol
LogP1.74
Rot. Bonds7

About (2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol

(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 2440202) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is (2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol
PubChem CID2440202
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol
SMILESCc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O4S/c1-17-7-9-20(10-8-17)27(24,25)22-13-11-21(12-14-22)15-18(23)16-26-19-5-3-2-4-6-19/h2-10,18,23H,11-16H2,1H3/t18-/m0/s1
InChIKeyBJTRBPVPNAJYIF-SFHVURJKSA-N
XLogP1.74
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46798025
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol
CID 2962063
1-[4-[3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 44786575
(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 2427595
(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 28868788
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111105694
(2S)-1-[2-(4-chlorophenoxy)ethoxy]-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 26498058
(2S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-phenoxypropan-2-ol
CID 51969151
(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 30729738
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
CID 1094983
4-[4-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 25487386
1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 3601395

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol (CID 2440202) is (2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol is Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)cc1.
What is the InChIKey of (2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is BJTRBPVPNAJYIF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-17-7-9-20(10-8-17)27(24,25)22-13-11-21(12-14-22)15-18(23)16-26-19-5-3-2-4-6-19/h2-10,18,23H,11-16H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol?
(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 390.51 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 2440202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).