4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide

C19H26N4O4S2 — CID 55641989

IUPAC4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H26N4O4S2/c20-28(24,25)18-7-9-19(10-8-18)29(26,27)21-11-4-12-22-13-15-23(16-14-22)17-5-2-1-3-6-17/h1-3,5-10,21H,4,11-16H2,(H2,20,24,25)
InChIKeyLWZDKAYAIGMHJH-UHFFFAOYSA-N
MW438.58 g/mol
LogP0.82
Rot. Bonds8

About 4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide

4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide (PubChem CID 55641989) has the molecular formula C19H26N4O4S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide
PubChem CID55641989
Molecular FormulaC19H26N4O4S2
Molecular Weight438.58 g/mol
Exact Mass438.14
IUPAC Name4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H26N4O4S2/c20-28(24,25)18-7-9-19(10-8-18)29(26,27)21-11-4-12-22-13-15-23(16-14-22)17-5-2-1-3-6-17/h1-3,5-10,21H,4,11-16H2,(H2,20,24,25)
InChIKeyLWZDKAYAIGMHJH-UHFFFAOYSA-N
XLogP0.82
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42389145
2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide
CID 22576547
3,4-difluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42428630
4-ethoxy-3,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389225
5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389179
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
CID 42389457
2-bromo-4-fluoro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530910
2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106786
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethylbenzenesulfonamide
CID 42388771
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-phenylbenzenesulfonamide
CID 166869256
4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267445

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide?
The IUPAC name of 4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide (CID 55641989) is 4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide?
The InChIKey is LWZDKAYAIGMHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S2/c20-28(24,25)18-7-9-19(10-8-18)29(26,27)21-11-4-12-22-13-15-23(16-14-22)17-5-2-1-3-6-17/h1-3,5-10,21H,4,11-16H2,(H2,20,24,25).
What are the key properties of 4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide?
4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide has a molecular weight of 438.58 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 55641989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).