3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one

C19H21ClN2O2S — CID 78777482

IUPAC3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCSc1ccccc1Cl)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H21ClN2O2S/c20-17-3-1-2-4-18(17)25-14-9-19(24)22-12-10-21(11-13-22)15-5-7-16(23)8-6-15/h1-8,23H,9-14H2
InChIKeyGVGCCDGLLPNKKO-UHFFFAOYSA-N
MW376.91 g/mol
LogP3.88
Rot. Bonds5

About 3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one

3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 78777482) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID78777482
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCSc1ccccc1Cl)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H21ClN2O2S/c20-17-3-1-2-4-18(17)25-14-9-19(24)22-12-10-21(11-13-22)15-5-7-16(23)8-6-15/h1-8,23H,9-14H2
InChIKeyGVGCCDGLLPNKKO-UHFFFAOYSA-N
XLogP3.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 78782073
3-bromo-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 113385212
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 112763089
3-(2-chlorophenyl)sulfanyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103730599
2-[4-[3-(2-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]-N-propylacetamide
CID 134014539
2-(4-bromo-8-chloronaphthalen-1-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 4065738
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2341550
2-(2-chloro-6-fluorophenyl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8779418
1-[3-(2-chlorophenyl)sulfanylpropanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258201
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
(2R)-1-[3-(2-chlorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 79035190

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one (CID 78777482) is 3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one is O=C(CCSc1ccccc1Cl)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is GVGCCDGLLPNKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c20-17-3-1-2-4-18(17)25-14-9-19(24)22-12-10-21(11-13-22)15-5-7-16(23)8-6-15/h1-8,23H,9-14H2.
What are the key properties of 3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 376.91 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 78777482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).