1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine

C11H14Cl2N2O2S — CID 779062

IUPAC1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C11H14Cl2N2O2S/c1-14-4-6-15(7-5-14)18(16,17)11-8-9(12)2-3-10(11)13/h2-3,8H,4-7H2,1H3
InChIKeyBEVUDQLTDQWGCG-UHFFFAOYSA-N
MW309.22 g/mol
LogP1.93
Rot. Bonds2

About 1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine

1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine (PubChem CID 779062) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine
PubChem CID779062
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C11H14Cl2N2O2S/c1-14-4-6-15(7-5-14)18(16,17)11-8-9(12)2-3-10(11)13/h2-3,8H,4-7H2,1H3
InChIKeyBEVUDQLTDQWGCG-UHFFFAOYSA-N
XLogP1.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)sulfonyl-4-methylpiperazine
CID 754318
Piperidine, 1-[(2,5-dichlorophenyl)sulfonyl]-
CID 646492
1-[(2,5-Dichlorophenyl)sulfonyl]pyrrolidine
CID 767694
4-Chloro-N-(4-methyl-piperazin-1-yl)-benzenesulfonamide
CID 785891
1-[(2,5-Dichlorophenyl)sulfonyl]-3-methylpiperidine
CID 2806415
1-[(2,3-Dichlorophenyl)sulfonyl]piperidine
CID 691910
1-[(2,5-Dichlorophenyl)sulfonyl]piperazine
CID 3734885
3-[4-(2,5-Dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 2576672
2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide
CID 2953957
1-(2,3-Dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane;hydrochloride
CID 16196895
1-(2,5-Dichloro benzene)-sulfonyl-cis-2,6-dimethyl piperidine
CID 44245424
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine (CID 779062) is 1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine is CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine?
The InChIKey is BEVUDQLTDQWGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c1-14-4-6-15(7-5-14)18(16,17)11-8-9(12)2-3-10(11)13/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine?
1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine has a molecular weight of 309.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 779062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).