1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine

C25H28N2O3S — CID 2920869

IUPAC1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N2O3S/c1-2-30-23-13-15-24(16-14-23)31(28,29)27-19-17-26(18-20-27)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,25H,2,17-20H2,1H3
InChIKeyBGUGAIUOOIFTDD-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.18
Rot. Bonds7

About 1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine

1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine (PubChem CID 2920869) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine
PubChem CID2920869
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N2O3S/c1-2-30-23-13-15-24(16-14-23)31(28,29)27-19-17-26(18-20-27)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,25H,2,17-20H2,1H3
InChIKeyBGUGAIUOOIFTDD-UHFFFAOYSA-N
XLogP4.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryl-4-(4-butoxyphenyl)sulfonylpiperazine
CID 46100935
1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine
CID 2868886
1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 5260685
N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-ethoxybenzamide
CID 4949091
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide
CID 17353555
1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2525429
N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-ethoxybenzamide
CID 4957742
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093294
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-4-ethoxy-N-methylbenzenesulfonamide
CID 19798416
1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 113074890
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-5-bromo-2-ethoxybenzamide
CID 17352979

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine (CID 2920869) is 1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine is CCOc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The InChIKey is BGUGAIUOOIFTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-2-30-23-13-15-24(16-14-23)31(28,29)27-19-17-26(18-20-27)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,25H,2,17-20H2,1H3.
What are the key properties of 1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine?
1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine has a molecular weight of 436.58 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 2920869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).