1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride

C19H24ClFN2O3S — CID 17338187

IUPAC1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1.Cl
InChIInChI=1S/C19H23FN2O3S.ClH/c1-2-25-18-6-8-19(9-7-18)26(23,24)22-12-10-21(11-13-22)15-16-4-3-5-17(20)14-16;/h3-9,14H,2,10-13,15H2,1H3;1H
InChIKeyVMIHEYBYQOOOBC-UHFFFAOYSA-N
MW414.93 g/mol
LogP3.15
Rot. Bonds6

About 1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride

1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride (PubChem CID 17338187) has the molecular formula C19H24ClFN2O3S and a molecular weight of 414.93 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride
PubChem CID17338187
Molecular FormulaC19H24ClFN2O3S
Molecular Weight414.93 g/mol
Exact Mass414.12
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1.Cl
InChIInChI=1S/C19H23FN2O3S.ClH/c1-2-25-18-6-8-19(9-7-18)26(23,24)22-12-10-21(11-13-22)15-16-4-3-5-17(20)14-16;/h3-9,14H,2,10-13,15H2,1H3;1H
InChIKeyVMIHEYBYQOOOBC-UHFFFAOYSA-N
XLogP3.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride 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-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 8746856
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine
CID 53089852
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 1085687
1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17365974
1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
CID 4994124
4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
CID 47147073
1-[(3-fluorophenyl)methyl]-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine
CID 46809767
1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443809
3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 8746367
1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride
CID 163331829

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride (CID 17338187) is 1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride is CCOc1ccc(S(=O)(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1.Cl.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride?
The InChIKey is VMIHEYBYQOOOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S.ClH/c1-2-25-18-6-8-19(9-7-18)26(23,24)22-12-10-21(11-13-22)15-16-4-3-5-17(20)14-16;/h3-9,14H,2,10-13,15H2,1H3;1H.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride?
1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride has a molecular weight of 414.93 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 17338187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).