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

C12H16F2N2O3S — CID 43392116

IUPAC2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCN(CCO)CC1
InChIInChI=1S/C12H16F2N2O3S/c13-10-1-2-11(14)12(9-10)20(18,19)16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8H2
InChIKeyCYFLBKSQIVIBNI-UHFFFAOYSA-N
MW306.33 g/mol
LogP0.26
Rot. Bonds4

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

2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 43392116) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID43392116
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCN(CCO)CC1
InChIInChI=1S/C12H16F2N2O3S/c13-10-1-2-11(14)12(9-10)20(18,19)16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8H2
InChIKeyCYFLBKSQIVIBNI-UHFFFAOYSA-N
XLogP0.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol 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

2-[4-(5-amino-2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 107212399
2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 84591436
(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111487243
1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 17461113
2-[4-(3-amino-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501311
1-(2,5-difluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683012
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 17451454
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 38257109
2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43428221
2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol
CID 63288121
1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine
CID 8796966
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol (CID 43392116) is 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol is O=S(=O)(c1cc(F)ccc1F)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is CYFLBKSQIVIBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c13-10-1-2-11(14)12(9-10)20(18,19)16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8H2.
What are the key properties of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 306.33 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 43392116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).