1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol

C18H21Cl2N3O4S — CID 55629803

IUPAC1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
SMILESO=S(=O)(c1cccnc1)N1CCN(CC(O)COc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H21Cl2N3O4S/c19-14-3-4-17(20)18(10-14)27-13-15(24)12-22-6-8-23(9-7-22)28(25,26)16-2-1-5-21-11-16/h1-5,10-11,15,24H,6-9,12-13H2
InChIKeyKPODKFWVMPDBET-UHFFFAOYSA-N
MW446.36 g/mol
LogP2.13
Rot. Bonds7

About 1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol

1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol (PubChem CID 55629803) has the molecular formula C18H21Cl2N3O4S and a molecular weight of 446.36 g/mol. Its IUPAC name is 1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
PubChem CID55629803
Molecular FormulaC18H21Cl2N3O4S
Molecular Weight446.36 g/mol
Exact Mass445.06
IUPAC Name1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
SMILESO=S(=O)(c1cccnc1)N1CCN(CC(O)COc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H21Cl2N3O4S/c19-14-3-4-17(20)18(10-14)27-13-15(24)12-22-6-8-23(9-7-22)28(25,26)16-2-1-5-21-11-16/h1-5,10-11,15,24H,6-9,12-13H2
InChIKeyKPODKFWVMPDBET-UHFFFAOYSA-N
XLogP2.13
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dichlorophenoxy)-3-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]propan-2-ol
CID 4831008
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 46515456
1-(2-chlorophenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol
CID 112799354
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 71783559
(2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 31061722
2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521613
[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 2508970
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
(2R)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 124670195
(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol
CID 2440202
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol (CID 55629803) is 1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol is O=S(=O)(c1cccnc1)N1CCN(CC(O)COc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol?
The InChIKey is KPODKFWVMPDBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O4S/c19-14-3-4-17(20)18(10-14)27-13-15(24)12-22-6-8-23(9-7-22)28(25,26)16-2-1-5-21-11-16/h1-5,10-11,15,24H,6-9,12-13H2.
What are the key properties of 1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol?
1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol has a molecular weight of 446.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 55629803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).