2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride

C18H22Cl2N2O3S — CID 120765280

IUPAC2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
SMILESCOCc1ccc(S(=O)(=O)N2CCNCC2c2ccccc2Cl)cc1.Cl
InChIInChI=1S/C18H21ClN2O3S.ClH/c1-24-13-14-6-8-15(9-7-14)25(22,23)21-11-10-20-12-18(21)16-4-2-3-5-17(16)19;/h2-9,18,20H,10-13H2,1H3;1H
InChIKeyBSFCBJTXYRGVRX-UHFFFAOYSA-N
MW417.36 g/mol
LogP3.24
Rot. Bonds5

About 2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride

2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride (PubChem CID 120765280) has the molecular formula C18H22Cl2N2O3S and a molecular weight of 417.36 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
PubChem CID120765280
Molecular FormulaC18H22Cl2N2O3S
Molecular Weight417.36 g/mol
Exact Mass416.07
IUPAC Name2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
SMILESCOCc1ccc(S(=O)(=O)N2CCNCC2c2ccccc2Cl)cc1.Cl
InChIInChI=1S/C18H21ClN2O3S.ClH/c1-24-13-14-6-8-15(9-7-14)25(22,23)21-11-10-20-12-18(21)16-4-2-3-5-17(16)19;/h2-9,18,20H,10-13H2,1H3;1H
InChIKeyBSFCBJTXYRGVRX-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]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-(1,3-benzodioxol-5-ylsulfonyl)-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120765302
2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 120765325
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
methyl 2-[4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyrazol-1-yl]acetate
CID 120765125
2-(2-chlorophenyl)-1-[(5-chloro-3-pyridinyl)sulfonyl]piperazine
CID 120765119
2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
CID 120765152
2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765092
2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765172
2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine
CID 120765181
5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120765306
2-(2-chlorophenyl)-1-(3-fluoropropylsulfonyl)piperazine;hydrochloride
CID 120765122
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride (CID 120765280) is 2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride is COCc1ccc(S(=O)(=O)N2CCNCC2c2ccccc2Cl)cc1.Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride?
The InChIKey is BSFCBJTXYRGVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S.ClH/c1-24-13-14-6-8-15(9-7-14)25(22,23)21-11-10-20-12-18(21)16-4-2-3-5-17(16)19;/h2-9,18,20H,10-13H2,1H3;1H.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride?
2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride has a molecular weight of 417.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120765280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).