1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine

C29H30N2O3S — CID 2868886

IUPAC1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine
SMILESCCOc1ccc2cc(S(=O)(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)ccc2c1
InChIInChI=1S/C29H30N2O3S/c1-2-34-27-15-13-26-22-28(16-14-25(26)21-27)35(32,33)31-19-17-30(18-20-31)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,21-22,29H,2,17-20H2,1H3
InChIKeyUADCPJRCUSGCSU-UHFFFAOYSA-N
MW486.64 g/mol
LogP5.33
Rot. Bonds7

About 1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine

1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine (PubChem CID 2868886) has the molecular formula C29H30N2O3S and a molecular weight of 486.64 g/mol. Its IUPAC name is 1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine
PubChem CID2868886
Molecular FormulaC29H30N2O3S
Molecular Weight486.64 g/mol
Exact Mass486.20
IUPAC Name1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine
SMILESCCOc1ccc2cc(S(=O)(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)ccc2c1
InChIInChI=1S/C29H30N2O3S/c1-2-34-27-15-13-26-22-28(16-14-25(26)21-27)35(32,33)31-19-17-30(18-20-31)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,21-22,29H,2,17-20H2,1H3
InChIKeyUADCPJRCUSGCSU-UHFFFAOYSA-N
XLogP5.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2920869
1-benzhydryl-4-(4-butoxyphenyl)sulfonylpiperazine
CID 46100935
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-yloxyacetamide
CID 4946367
1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 1041679
1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 5260685
N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-ethoxybenzamide
CID 4957742
N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-ethoxybenzamide
CID 4949091
(3-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 52693720
(4-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2673957
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(3-methylphenoxy)acetamide
CID 4946376
1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 25252531
1-(3-ethoxyphenyl)sulfonylpyrrolidine
CID 141152893

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine (CID 2868886) is 1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine is CCOc1ccc2cc(S(=O)(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)ccc2c1.
What is the InChIKey of 1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine?
The InChIKey is UADCPJRCUSGCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3S/c1-2-34-27-15-13-26-22-28(16-14-25(26)21-27)35(32,33)31-19-17-30(18-20-31)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,21-22,29H,2,17-20H2,1H3.
What are the key properties of 1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine?
1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine has a molecular weight of 486.64 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 2868886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).