2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone

C19H21ClN2O3S2 — CID 26570877

IUPAC2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(CSCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN2O3S2/c20-17-8-4-5-9-18(17)27(24,25)22-12-10-21(11-13-22)19(23)15-26-14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyZTUKJQVIKAZIQJ-UHFFFAOYSA-N
MW424.98 g/mol
LogP3.11
Rot. Bonds6

About 2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone

2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 26570877) has the molecular formula C19H21ClN2O3S2 and a molecular weight of 424.98 g/mol. Its IUPAC name is 2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID26570877
Molecular FormulaC19H21ClN2O3S2
Molecular Weight424.98 g/mol
Exact Mass424.07
IUPAC Name2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(CSCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN2O3S2/c20-17-8-4-5-9-18(17)27(24,25)22-12-10-21(11-13-22)19(23)15-26-14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyZTUKJQVIKAZIQJ-UHFFFAOYSA-N
XLogP3.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone 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-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(4-ethylphenyl)propan-1-one
CID 9429456
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone
CID 26756892
2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 46797516
4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide
CID 25490786
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8693911
N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 9239660
2-(4-chlorophenoxy)-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 27799783
1-(4-chlorophenyl)-4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione
CID 26757215
[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-ethoxyacetate
CID 9289640
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone
CID 112764850
1-(2-benzylsulfanylacetyl)-1,4-diazepan-5-one
CID 55154739
1-(4-acetylpiperazin-1-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone
CID 78760242

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone (CID 26570877) is 2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone is O=C(CSCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is ZTUKJQVIKAZIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S2/c20-17-8-4-5-9-18(17)27(24,25)22-12-10-21(11-13-22)19(23)15-26-14-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of 2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone?
2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 424.98 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 26570877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).