2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride

C13H23Cl2N3O2S2 — CID 120707499

IUPAC2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
SMILESCSc1ccccc1S(=O)(=O)NCCN1CCNCC1.Cl.Cl
InChIInChI=1S/C13H21N3O2S2.2ClH/c1-19-12-4-2-3-5-13(12)20(17,18)15-8-11-16-9-6-14-7-10-16;;/h2-5,14-15H,6-11H2,1H3;2*1H
InChIKeyMVVZLNANHSTODZ-UHFFFAOYSA-N
MW388.39 g/mol
LogP1.44
Rot. Bonds6

About 2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride

2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride (PubChem CID 120707499) has the molecular formula C13H23Cl2N3O2S2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
PubChem CID120707499
Molecular FormulaC13H23Cl2N3O2S2
Molecular Weight388.39 g/mol
Exact Mass387.06
IUPAC Name2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
SMILESCSc1ccccc1S(=O)(=O)NCCN1CCNCC1.Cl.Cl
InChIInChI=1S/C13H21N3O2S2.2ClH/c1-19-12-4-2-3-5-13(12)20(17,18)15-8-11-16-9-6-14-7-10-16;;/h2-5,14-15H,6-11H2,1H3;2*1H
InChIKeyMVVZLNANHSTODZ-UHFFFAOYSA-N
XLogP1.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride 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

2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120707517
N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 119966447
3-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999791
3-fluoro-2-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966171
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966552
4-bromo-2-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120707438
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213
N-(3-aminobutyl)-2-methylsulfanylbenzenesulfonamide
CID 120708577
N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide
CID 120708847
1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43599791
2-fluoro-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)benzenesulfonamide;dihydrochloride
CID 119966645
2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966401

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The IUPAC name of 2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride (CID 120707499) is 2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The canonical SMILES for 2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride is CSc1ccccc1S(=O)(=O)NCCN1CCNCC1.Cl.Cl.
What is the InChIKey of 2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The InChIKey is MVVZLNANHSTODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2.2ClH/c1-19-12-4-2-3-5-13(12)20(17,18)15-8-11-16-9-6-14-7-10-16;;/h2-5,14-15H,6-11H2,1H3;2*1H.
What are the key properties of 2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride has a molecular weight of 388.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 120707499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).