[2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone

C18H19ClN2OS — CID 13167992

IUPAC[2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccccc2Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H19ClN2OS/c1-20-10-12-21(13-11-20)18(22)16-4-2-3-5-17(16)23-15-8-6-14(19)7-9-15/h2-9H,10-13H2,1H3
InChIKeySSFAZQDLZDHCOO-UHFFFAOYSA-N
MW346.88 g/mol
LogP3.88
Rot. Bonds3

About [2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone

[2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 13167992) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is [2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID13167992
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name[2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccccc2Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H19ClN2OS/c1-20-10-12-21(13-11-20)18(22)16-4-2-3-5-17(16)23-15-8-6-14(19)7-9-15/h2-9H,10-13H2,1H3
InChIKeySSFAZQDLZDHCOO-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone (CID 13167992) is [2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccccc2Sc2ccc(Cl)cc2)CC1.
What is the InChIKey of [2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is SSFAZQDLZDHCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c1-20-10-12-21(13-11-20)18(22)16-4-2-3-5-17(16)23-15-8-6-14(19)7-9-15/h2-9H,10-13H2,1H3.
What are the key properties of [2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone?
[2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 346.88 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 13167992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).