1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol

C22H28N2O4S — CID 2962048

IUPAC1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
SMILESO=S(=O)(c1ccccc1)N1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C22H28N2O4S/c25-20(17-28-21-10-9-18-5-4-6-19(18)15-21)16-23-11-13-24(14-12-23)29(26,27)22-7-2-1-3-8-22/h1-3,7-10,15,20,25H,4-6,11-14,16-17H2
InChIKeyPYLKDKVZEBKODU-UHFFFAOYSA-N
MW416.54 g/mol
LogP1.92
Rot. Bonds7

About 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol

1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol (PubChem CID 2962048) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
PubChem CID2962048
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
SMILESO=S(=O)(c1ccccc1)N1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C22H28N2O4S/c25-20(17-28-21-10-9-18-5-4-6-19(18)15-21)16-23-11-13-24(14-12-23)29(26,27)22-7-2-1-3-8-22/h1-3,7-10,15,20,25H,4-6,11-14,16-17H2
InChIKeyPYLKDKVZEBKODU-UHFFFAOYSA-N
XLogP1.92
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol with MolForge

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Related Compounds

1-(4-(2-Hydroxyethyl)piperazinyl)-3-(5-indanyloxy)-2-propanol
CID 2918413
({4-[2-Hydroxy-3-(4-phenylphenoxy)propyl]piperazinyl}sulfonyl)dimethylamine
CID 2989804
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethyl-1-piperazinyl)-2-propanol dihydrochloride
CID 15945835
1-[(4-Methoxyphenyl)methoxy]-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 16230928
1-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 16250656
4-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 5301614
2-Propanol, 1-(4-(2-hydroxyethyl)-1-piperazinyl)-3-(4-indanyloxy)-
CID 3051473
2-Propanol, 1-(4-indanyloxy)-3-(4-methyl-1-piperazinyl)-
CID 3051475
1-(5-Indanyloxy)-3-(4-methylpiperazinyl)-2-propanol
CID 3051476
1-(4-Ethylpiperazinyl)-3-indan-5-yloxypropan-2-ol
CID 3730418
1-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol
CID 5005468
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(morpholin-4-yl)propan-2-ol
CID 2918164

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol?
The IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol (CID 2962048) is 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol.
What is the SMILES notation for 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol?
The canonical SMILES for 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol is O=S(=O)(c1ccccc1)N1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol?
The InChIKey is PYLKDKVZEBKODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c25-20(17-28-21-10-9-18-5-4-6-19(18)15-21)16-23-11-13-24(14-12-23)29(26,27)22-7-2-1-3-8-22/h1-3,7-10,15,20,25H,4-6,11-14,16-17H2.
What are the key properties of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol?
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol has a molecular weight of 416.54 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol is sourced from PubChem (CID 2962048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).