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

C13H18F2N2O3S — CID 84591436

IUPAC2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1cc(F)c(S(=O)(=O)N2CCN(CCO)CC2)cc1F
InChIInChI=1S/C13H18F2N2O3S/c1-10-8-12(15)13(9-11(10)14)21(19,20)17-4-2-16(3-5-17)6-7-18/h8-9,18H,2-7H2,1H3
InChIKeyWTEIGQDSVVYDAL-UHFFFAOYSA-N
MW320.36 g/mol
LogP0.57
Rot. Bonds4

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

2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 84591436) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID84591436
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1cc(F)c(S(=O)(=O)N2CCN(CCO)CC2)cc1F
InChIInChI=1S/C13H18F2N2O3S/c1-10-8-12(15)13(9-11(10)14)21(19,20)17-4-2-16(3-5-17)6-7-18/h8-9,18H,2-7H2,1H3
InChIKeyWTEIGQDSVVYDAL-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,5-difluoro-4-methylphenyl)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-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116
2-[4-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol
CID 131931460
2-[4-(5-amino-2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 107212399
2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501290
2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 2495559
2-[4-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 114625096
[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119963938
2-[4-(2-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63309886
2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43428221
2-[4-(3-amino-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501311
2-[4-(3-chloro-2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63310054
2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63310097

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol (CID 84591436) is 2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol is Cc1cc(F)c(S(=O)(=O)N2CCN(CCO)CC2)cc1F.
What is the InChIKey of 2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is WTEIGQDSVVYDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-10-8-12(15)13(9-11(10)14)21(19,20)17-4-2-16(3-5-17)6-7-18/h8-9,18H,2-7H2,1H3.
What are the key properties of 2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 320.36 g/mol, XLogP of 0.57, 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-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 84591436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).