1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine

C13H19BrN2O2S — CID 120725401

IUPAC1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCNC(C)C2C)ccc1Br
InChIInChI=1S/C13H19BrN2O2S/c1-9-8-12(4-5-13(9)14)19(17,18)16-7-6-15-10(2)11(16)3/h4-5,8,10-11,15H,6-7H2,1-3H3
InChIKeyQAZNEDWYSBKDHB-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.13
Rot. Bonds2

About 1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine

1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine (PubChem CID 120725401) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
PubChem CID120725401
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCNC(C)C2C)ccc1Br
InChIInChI=1S/C13H19BrN2O2S/c1-9-8-12(4-5-13(9)14)19(17,18)16-7-6-15-10(2)11(16)3/h4-5,8,10-11,15H,6-7H2,1-3H3
InChIKeyQAZNEDWYSBKDHB-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine 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-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725927
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725829
1-(3-bromo-4-nitrophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725624
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716815
4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 120876566
1-(3-bromo-5-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725861
1-(4-bromo-3-methylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594701
1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726080
1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725689
4-(4-bromo-3-methylphenyl)sulfonyl-2-methylthiomorpholine
CID 113231761
2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride
CID 120725684
4-(4-bromo-3-methylphenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 66063719

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine (CID 120725401) is 1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine is Cc1cc(S(=O)(=O)N2CCNC(C)C2C)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine?
The InChIKey is QAZNEDWYSBKDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-9-8-12(4-5-13(9)14)19(17,18)16-7-6-15-10(2)11(16)3/h4-5,8,10-11,15H,6-7H2,1-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine?
1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine has a molecular weight of 347.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine is sourced from PubChem (CID 120725401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).