1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride

C11H15Cl3N2O2S — CID 119981931

IUPAC1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CCN1.Cl
InChIInChI=1S/C11H14Cl2N2O2S.ClH/c1-8-7-15(5-4-14-8)18(16,17)11-6-9(12)2-3-10(11)13;/h2-3,6,8,14H,4-5,7H2,1H3;1H
InChIKeyFVWFEUNAUDVALM-UHFFFAOYSA-N
MW345.68 g/mol
LogP2.40
Rot. Bonds2

About 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride

1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride (PubChem CID 119981931) has the molecular formula C11H15Cl3N2O2S and a molecular weight of 345.68 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
PubChem CID119981931
Molecular FormulaC11H15Cl3N2O2S
Molecular Weight345.68 g/mol
Exact Mass343.99
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CCN1.Cl
InChIInChI=1S/C11H14Cl2N2O2S.ClH/c1-8-7-15(5-4-14-8)18(16,17)11-6-9(12)2-3-10(11)13;/h2-3,6,8,14H,4-5,7H2,1H3;1H
InChIKeyFVWFEUNAUDVALM-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.68
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;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-(2-chloro-5-methylsulfonylphenyl)sulfonyl-3-methylpiperazine
CID 65449750
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
CID 119982070
1-(2,5-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981939
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713062
(3R)-1-(2,4-dichloro-3-nitrophenyl)sulfonyl-3-methylpiperazine
CID 104974967
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
1-(2-chloro-4-nitrophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982016
1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448622
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
CID 119982241
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride (CID 119981931) is 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride is CC1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CCN1.Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The InChIKey is FVWFEUNAUDVALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S.ClH/c1-8-7-15(5-4-14-8)18(16,17)11-6-9(12)2-3-10(11)13;/h2-3,6,8,14H,4-5,7H2,1H3;1H.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride has a molecular weight of 345.68 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 119981931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).