1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol

C13H18F2N2O3S — CID 71783552

IUPAC1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C13H18F2N2O3S/c1-10(18)9-16-4-6-17(7-5-16)21(19,20)13-8-11(14)2-3-12(13)15/h2-3,8,10,18H,4-7,9H2,1H3
InChIKeyPZALTGQDDTXITF-UHFFFAOYSA-N
MW320.36 g/mol
LogP0.65
Rot. Bonds4

About 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol

1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol (PubChem CID 71783552) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
PubChem CID71783552
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C13H18F2N2O3S/c1-10(18)9-16-4-6-17(7-5-16)21(19,20)13-8-11(14)2-3-12(13)15/h2-3,8,10,18H,4-7,9H2,1H3
InChIKeyPZALTGQDDTXITF-UHFFFAOYSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(Phenylsulfonyl)piperazin-1-yl)ethanol
CID 668789
2,6-Dimethyl-4-(phenylsulfonyl)morpholine
CID 2849564
1-[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 16315813
4-(3,4-Difluorobenzenesulfonyl)-2,6-dimethylmorpholine
CID 3495349
1-Ethyl-4-[(2-fluorophenyl)sulfonyl]piperazine
CID 697753
2-[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol;hydrochloride
CID 45479736
4-(3-Fluorobenzenesulfonyl)-2,6-dimethylmorpholine
CID 2938759
1-(4-Fluorophenyl)sulfonyl-4-propylpiperazine
CID 3799369
2-(4-((4-Fluoro-3-methylphenyl)sulfonyl)piperazin-1-yl)ethanol
CID 16644904
4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 44564850
1-[4-(4-Fluorophenyl)sulfonyl-3-(hydroxymethyl)piperazin-1-yl]ethanone
CID 137650598
1-[4-(4-Fluorophenyl)sulfonyl-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 137661150

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol (CID 71783552) is 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol is CC(O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The InChIKey is PZALTGQDDTXITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-10(18)9-16-4-6-17(7-5-16)21(19,20)13-8-11(14)2-3-12(13)15/h2-3,8,10,18H,4-7,9H2,1H3.
What are the key properties of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol has a molecular weight of 320.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 71783552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).