1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine

C22H30N2O4S — CID 2921330

IUPAC1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
SMILESCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)cc1
InChIInChI=1S/C22H30N2O4S/c1-3-5-18-28-19-10-12-20(13-11-19)29(25,26)24-16-14-23(15-17-24)21-8-6-7-9-22(21)27-4-2/h6-13H,3-5,14-18H2,1-2H3
InChIKeyZUFIZZCWBPYZKE-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.78
Rot. Bonds9

About 1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine

1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine (PubChem CID 2921330) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
PubChem CID2921330
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
SMILESCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)cc1
InChIInChI=1S/C22H30N2O4S/c1-3-5-18-28-19-10-12-20(13-11-19)29(25,26)24-16-14-23(15-17-24)21-8-6-7-9-22(21)27-4-2/h6-13H,3-5,14-18H2,1-2H3
InChIKeyZUFIZZCWBPYZKE-UHFFFAOYSA-N
XLogP3.78
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-N-(4-methoxy-phenyl)-2-morpholin-4-yl-benzenesulfonamide
CID 2963517
SB 258585
CID 3248571
1-((4-Chlorophenyl)sulfonyl)-4-(2-methoxyphenyl)piperazine
CID 1068085
5-(Morpholine-4-sulfonyl)-2-phenoxyaniline
CID 3809457
3-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 10648664
3,4-dimethoxy-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 11505007
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215
6-Fluoro-4-(2-fluorophenyl)sulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 17961002
3-iodo-N-(4-methoxy-3-piperazin-1-ylphenyl)benzenesulfonamide
CID 18180191
2-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431547
N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2-nitrobenzenesulfonamide
CID 44431548
3-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431551

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
The IUPAC name of 1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine (CID 2921330) is 1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
The canonical SMILES for 1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine is CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
The InChIKey is ZUFIZZCWBPYZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-3-5-18-28-19-10-12-20(13-11-19)29(25,26)24-16-14-23(15-17-24)21-8-6-7-9-22(21)27-4-2/h6-13H,3-5,14-18H2,1-2H3.
What are the key properties of 1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine has a molecular weight of 418.56 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine is sourced from PubChem (CID 2921330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).