(2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol

C25H30N2O4S — CID 991624

IUPAC(2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol
SMILESCc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)c(C)c1
InChIInChI=1S/C25H30N2O4S/c1-19-7-10-25(20(2)15-19)32(29,30)27-13-11-26(12-14-27)17-23(28)18-31-24-9-8-21-5-3-4-6-22(21)16-24/h3-10,15-16,23,28H,11-14,17-18H2,1-2H3/t23-/m1/s1
InChIKeySATBLIRPDDFMIG-HSZRJFAPSA-N
MW454.59 g/mol
LogP3.20
Rot. Bonds7

About (2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol

(2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 991624) has the molecular formula C25H30N2O4S and a molecular weight of 454.59 g/mol. Its IUPAC name is (2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol
PubChem CID991624
Molecular FormulaC25H30N2O4S
Molecular Weight454.59 g/mol
Exact Mass454.19
IUPAC Name(2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol
SMILESCc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)c(C)c1
InChIInChI=1S/C25H30N2O4S/c1-19-7-10-25(20(2)15-19)32(29,30)27-13-11-26(12-14-27)17-23(28)18-31-24-9-8-21-5-3-4-6-22(21)16-24/h3-10,15-16,23,28H,11-14,17-18H2,1-2H3/t23-/m1/s1
InChIKeySATBLIRPDDFMIG-HSZRJFAPSA-N
XLogP3.20
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenoxy)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46557327
(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
1-(4-methylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46798025
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
CID 21237713
(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol
CID 2440202
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol
CID 2962063
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 6602971
1-[4-(2-hydroxy-3-phenanthren-3-yloxypropyl)piperazin-1-yl]-3-phenanthren-3-yloxypropan-2-ol
CID 4027669
(2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 31062269
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol (CID 991624) is (2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol is Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)c(C)c1.
What is the InChIKey of (2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is SATBLIRPDDFMIG-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N2O4S/c1-19-7-10-25(20(2)15-19)32(29,30)27-13-11-26(12-14-27)17-23(28)18-31-24-9-8-21-5-3-4-6-22(21)16-24/h3-10,15-16,23,28H,11-14,17-18H2,1-2H3/t23-/m1/s1.
What are the key properties of (2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol?
(2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 454.59 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 991624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).