4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide

C20H24N4O3S — CID 78896382

IUPAC4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide
SMILESN#Cc1ccc(OCCCN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C20H24N4O3S/c21-16-17-2-6-19(7-3-17)27-15-1-10-23-11-13-24(14-12-23)18-4-8-20(9-5-18)28(22,25)26/h2-9H,1,10-15H2,(H2,22,25,26)
InChIKeyLVJSGFRHRSLIQB-UHFFFAOYSA-N
MW400.50 g/mol
LogP1.80
Rot. Bonds7

About 4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide

4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 78896382) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide
PubChem CID78896382
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide
SMILESN#Cc1ccc(OCCCN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C20H24N4O3S/c21-16-17-2-6-19(7-3-17)27-15-1-10-23-11-13-24(14-12-23)18-4-8-20(9-5-18)28(22,25)26/h2-9H,1,10-15H2,(H2,22,25,26)
InChIKeyLVJSGFRHRSLIQB-UHFFFAOYSA-N
XLogP1.80
TPSA99.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile
CID 67131816
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]benzonitrile
CID 43581427
4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile
CID 131887743
4-[3-(4-pentylsulfonylpiperazin-1-yl)propoxy]benzonitrile
CID 86936868
4-[[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]methyl]benzenesulfonamide
CID 177234136
methyl 4-[4-(4-cyanophenyl)piperazin-1-yl]butanoate
CID 177042407
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 26667752
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanesulfonamide
CID 3070132
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide (CID 78896382) is 4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide is N#Cc1ccc(OCCCN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide?
The InChIKey is LVJSGFRHRSLIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c21-16-17-2-6-19(7-3-17)27-15-1-10-23-11-13-24(14-12-23)18-4-8-20(9-5-18)28(22,25)26/h2-9H,1,10-15H2,(H2,22,25,26).
What are the key properties of 4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide?
4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 78896382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).