N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

C25H35N5O3S — CID 46319302

IUPACN-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESO=C(CCN(CCN1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1)N1CCNCC1
InChIInChI=1S/C25H35N5O3S/c31-25(29-15-12-26-13-16-29)11-14-30(34(32,33)24-9-5-2-6-10-24)22-19-27-17-20-28(21-18-27)23-7-3-1-4-8-23/h1-10,26H,11-22H2
InChIKeyZLMPAWQUAVFKFO-UHFFFAOYSA-N
MW485.65 g/mol
LogP1.32
Rot. Bonds9

About N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 46319302) has the molecular formula C25H35N5O3S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID46319302
Molecular FormulaC25H35N5O3S
Molecular Weight485.65 g/mol
Exact Mass485.25
IUPAC NameN-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESO=C(CCN(CCN1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1)N1CCNCC1
InChIInChI=1S/C25H35N5O3S/c31-25(29-15-12-26-13-16-29)11-14-30(34(32,33)24-9-5-2-6-10-24)22-19-27-17-20-28(21-18-27)23-7-3-1-4-8-23/h1-10,26H,11-22H2
InChIKeyZLMPAWQUAVFKFO-UHFFFAOYSA-N
XLogP1.32
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 94074212
N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide
CID 50775970
N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056695
1-(1,4-diazepan-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 119418032
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 50775848
4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 50775815
3,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056782
2,4,6-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50776395
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50776219
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50776578
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzenesulfonamide
CID 50775862

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 46319302) is N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is O=C(CCN(CCN1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1)N1CCNCC1.
What is the InChIKey of N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is ZLMPAWQUAVFKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3S/c31-25(29-15-12-26-13-16-29)11-14-30(34(32,33)24-9-5-2-6-10-24)22-19-27-17-20-28(21-18-27)23-7-3-1-4-8-23/h1-10,26H,11-22H2.
What are the key properties of N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 485.65 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperazin-1-ylpropyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 46319302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).