1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride

C17H19Cl3N2O2S — CID 2729556

IUPAC1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H18Cl2N2O2S.ClH/c18-15-7-4-8-16(17(15)19)24(22,23)21-11-9-20(10-12-21)13-14-5-2-1-3-6-14;/h1-8H,9-13H2;1H
InChIKeyYZFMAVICMDIDLG-UHFFFAOYSA-N
MW421.78 g/mol
LogP3.92
Rot. Bonds4

About 1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride

1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride (PubChem CID 2729556) has the molecular formula C17H19Cl3N2O2S and a molecular weight of 421.78 g/mol. Its IUPAC name is 1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride
PubChem CID2729556
Molecular FormulaC17H19Cl3N2O2S
Molecular Weight421.78 g/mol
Exact Mass420.02
IUPAC Name1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H18Cl2N2O2S.ClH/c18-15-7-4-8-16(17(15)19)24(22,23)21-11-9-20(10-12-21)13-14-5-2-1-3-6-14;/h1-8H,9-13H2;1H
InChIKeyYZFMAVICMDIDLG-UHFFFAOYSA-N
XLogP3.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.78
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;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-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391386
[3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 60527613
1-benzyl-4-(2-bromophenyl)sulfonyl-1,4-diazepane
CID 3819879
1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 8743546
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 32717171
1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
(3aR,10bS)-2-benzyl-5-(2,3-dichlorophenyl)sulfonyl-1,3,3a,4,6,10b-hexahydropyrrolo[3,4-d][2]benzazepine
CID 66821476
2-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-4,5-dimethylphenol
CID 27076001
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
5-(4-benzylpiperazin-1-yl)sulfonyl-4-chloro-2-methylaniline
CID 134081763

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride (CID 2729556) is 1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride is Cl.O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is YZFMAVICMDIDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S.ClH/c18-15-7-4-8-16(17(15)19)24(22,23)21-11-9-20(10-12-21)13-14-5-2-1-3-6-14;/h1-8H,9-13H2;1H.
What are the key properties of 1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride?
1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 421.78 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 2729556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).