2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride

C19H21ClF2N2O2S — CID 120733594

IUPAC2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CSc1ccc(F)c(F)c1.Cl
InChIInChI=1S/C19H20F2N2O2S.ClH/c1-25-18-5-3-2-4-14(18)17-11-22-8-9-23(17)19(24)12-26-13-6-7-15(20)16(21)10-13;/h2-7,10,17,22H,8-9,11-12H2,1H3;1H
InChIKeyQKISYCCRHLUIRY-UHFFFAOYSA-N
MW414.91 g/mol
LogP3.66
Rot. Bonds5

About 2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride

2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120733594) has the molecular formula C19H21ClF2N2O2S and a molecular weight of 414.91 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID120733594
Molecular FormulaC19H21ClF2N2O2S
Molecular Weight414.91 g/mol
Exact Mass414.10
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CSc1ccc(F)c(F)c1.Cl
InChIInChI=1S/C19H20F2N2O2S.ClH/c1-25-18-5-3-2-4-14(18)17-11-22-8-9-23(17)19(24)12-26-13-6-7-15(20)16(21)10-13;/h2-7,10,17,22H,8-9,11-12H2,1H3;1H
InChIKeyQKISYCCRHLUIRY-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;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-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone;hydrochloride
CID 120735083
2-(4-hydroxyphenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734879
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733916
2-(2-methoxy-5-methylphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734683
2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129465770
2-(2,3-difluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120735387
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 120733310
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735093
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone;hydrochloride
CID 120732822
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride (CID 120733594) is 2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride is COc1ccccc1C1CNCCN1C(=O)CSc1ccc(F)c(F)c1.Cl.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is QKISYCCRHLUIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2S.ClH/c1-25-18-5-3-2-4-14(18)17-11-22-8-9-23(17)19(24)12-26-13-6-7-15(20)16(21)10-13;/h2-7,10,17,22H,8-9,11-12H2,1H3;1H.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 414.91 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120733594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).