[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone

C18H19ClN2OS — CID 2232058

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H19ClN2OS/c1-23-17-8-3-2-7-16(17)18(22)21-11-9-20(10-12-21)15-6-4-5-14(19)13-15/h2-8,13H,9-12H2,1H3
InChIKeyNQJZRCYVUAQNMJ-UHFFFAOYSA-N
MW346.88 g/mol
LogP4.02
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 2232058) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID2232058
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H19ClN2OS/c1-23-17-8-3-2-7-16(17)18(22)21-11-9-20(10-12-21)15-6-4-5-14(19)13-15/h2-8,13H,9-12H2,1H3
InChIKeyNQJZRCYVUAQNMJ-UHFFFAOYSA-N
XLogP4.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-Chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554
1-(4-Chlorobenzoyl)-4-(4-chlorophenyl)piperazine
CID 897167
Methanone, (4-chlorophenyl)[4-(4-fluorophenyl)-1-piperazinyl]-
CID 720118
1-(3-Chlorophenyl)-4-(4-fluorobenzoyl)piperazine
CID 681767
1-(3-Chlorophenyl)-4-[(3-chlorophenyl)carbonyl]piperazine
CID 702506
N-(5-chloro-2-(2-((dimethylamino)methyl)phenylthio)phenyl)-4-fluorobenzamide
CID 44580186
1-(4-Chlorophenyl)-4-[(4,5-dimethyl-3-thienyl)carbonyl]piperazine
CID 1247359
8-{[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]carbonyl}-10-ethyldibenzo[B,F][1,4]thiazepin-11(10H)-one 5-oxide
CID 16007790
1-(3-Chloro-phenyl)-4-(4-methanesulfonyl-phenyl)-3-phenyl-1,5-dihydro-pyrrol-2-one
CID 44293477
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide
CID 162648066

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone (CID 2232058) is [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is NQJZRCYVUAQNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c1-23-17-8-3-2-7-16(17)18(22)21-11-9-20(10-12-21)15-6-4-5-14(19)13-15/h2-8,13H,9-12H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 346.88 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 2232058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).