2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide

C19H22Cl3N3O2S — CID 42388791

IUPAC2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H22Cl3N3O2S/c20-15-2-5-17(6-3-15)25-12-10-24(11-13-25)9-1-8-23-28(26,27)19-14-16(21)4-7-18(19)22/h2-7,14,23H,1,8-13H2
InChIKeyAIHNQVWRMBLBEM-UHFFFAOYSA-N
MW462.83 g/mol
LogP4.14
Rot. Bonds7

About 2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide

2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide (PubChem CID 42388791) has the molecular formula C19H22Cl3N3O2S and a molecular weight of 462.83 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
PubChem CID42388791
Molecular FormulaC19H22Cl3N3O2S
Molecular Weight462.83 g/mol
Exact Mass461.05
IUPAC Name2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H22Cl3N3O2S/c20-15-2-5-17(6-3-15)25-12-10-24(11-13-25)9-1-8-23-28(26,27)19-14-16(21)4-7-18(19)22/h2-7,14,23H,1,8-13H2
InChIKeyAIHNQVWRMBLBEM-UHFFFAOYSA-N
XLogP4.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25037231
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-nitrobenzenesulfonamide
CID 42388837
1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide
CID 42388921
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluoro-3-methylbenzenesulfonamide
CID 42388861
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethylbenzenesulfonamide
CID 42388771
5-chloro-2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267469
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388817
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]isoquinoline-4-sulfonamide;hydrochloride
CID 57398618
3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide
CID 42267989
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422
2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267368

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide (CID 42388791) is 2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide is O=S(=O)(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide?
The InChIKey is AIHNQVWRMBLBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl3N3O2S/c20-15-2-5-17(6-3-15)25-12-10-24(11-13-25)9-1-8-23-28(26,27)19-14-16(21)4-7-18(19)22/h2-7,14,23H,1,8-13H2.
What are the key properties of 2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide?
2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide has a molecular weight of 462.83 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 42388791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).