1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine

C11H14Cl2N2O2S — CID 65448062

IUPAC1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
SMILESCC1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCN1
InChIInChI=1S/C11H14Cl2N2O2S/c1-8-7-15(3-2-14-8)18(16,17)11-5-9(12)4-10(13)6-11/h4-6,8,14H,2-3,7H2,1H3
InChIKeyQMGJWVRZMFQJQX-UHFFFAOYSA-N
MW309.22 g/mol
LogP1.98
Rot. Bonds2

About 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine

1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine (PubChem CID 65448062) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
PubChem CID65448062
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
SMILESCC1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCN1
InChIInChI=1S/C11H14Cl2N2O2S/c1-8-7-15(3-2-14-8)18(16,17)11-5-9(12)4-10(13)6-11/h4-6,8,14H,2-3,7H2,1H3
InChIKeyQMGJWVRZMFQJQX-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine 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-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726080
(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713062
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982158
1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981931
(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
CID 104975048
1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448622
3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide
CID 104975055
(3S)-1-(3-bromophenyl)sulfonyl-3-methylpiperazine
CID 104976426
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
CID 119982070
1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-3-methylpiperazine
CID 65449750

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine?
The IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine (CID 65448062) is 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine?
The canonical SMILES for 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine is CC1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCN1.
What is the InChIKey of 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine?
The InChIKey is QMGJWVRZMFQJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c1-8-7-15(3-2-14-8)18(16,17)11-5-9(12)4-10(13)6-11/h4-6,8,14H,2-3,7H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine?
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine has a molecular weight of 309.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine is sourced from PubChem (CID 65448062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).