2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide

C17H19Cl2N3O2S — CID 2998794

IUPAC2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H19Cl2N3O2S/c1-21-8-10-22(11-9-21)16-7-6-13(18)12-15(16)20-25(23,24)17-5-3-2-4-14(17)19/h2-7,12,20H,8-11H2,1H3
InChIKeyJAXHRWLWPCLFRN-UHFFFAOYSA-N
MW400.33 g/mol
LogP3.55
Rot. Bonds4

About 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide

2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide (PubChem CID 2998794) has the molecular formula C17H19Cl2N3O2S and a molecular weight of 400.33 g/mol. Its IUPAC name is 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
PubChem CID2998794
Molecular FormulaC17H19Cl2N3O2S
Molecular Weight400.33 g/mol
Exact Mass399.06
IUPAC Name2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H19Cl2N3O2S/c1-21-8-10-22(11-9-21)16-7-6-13(18)12-15(16)20-25(23,24)17-5-3-2-4-14(17)19/h2-7,12,20H,8-11H2,1H3
InChIKeyJAXHRWLWPCLFRN-UHFFFAOYSA-N
XLogP3.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Chlorophenyl)-4-(phenylsulfonyl)piperazine
CID 710994
N4-(3-chloro-2-(piperidin-1-yl)phenyl)-N1,N1-dimethylbenzene-1,4-disulfonamide
CID 154578372
Piperazine, 1-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfonyl]-
CID 985376
5-Amino-N-(4-chloro-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 3422328
3-amino-N-(4-chlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3875844
N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814220
1-(3-Chlorophenyl)-4-(2,5-dichlorobenzene-1-sulfonyl)piperazine
CID 386370
3-amino-N-(2,5-dichlorophenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3840199
1-[(4-Chlorophenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 985365
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685618
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 3954803
4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 4794708

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide (CID 2998794) is 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide is CN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is JAXHRWLWPCLFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2S/c1-21-8-10-22(11-9-21)16-7-6-13(18)12-15(16)20-25(23,24)17-5-3-2-4-14(17)19/h2-7,12,20H,8-11H2,1H3.
What are the key properties of 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 400.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2998794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).