1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine

C18H22N2O2S — CID 110757634

IUPAC1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C18H22N2O2S/c1-2-19-12-14-20(15-13-19)23(21,22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3
InChIKeyFSGZJZJEVMIOFO-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.68
Rot. Bonds4

About 1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine

1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine (PubChem CID 110757634) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
PubChem CID110757634
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C18H22N2O2S/c1-2-19-12-14-20(15-13-19)23(21,22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3
InChIKeyFSGZJZJEVMIOFO-UHFFFAOYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate
CID 3809262
4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
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1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
1-ethyl-4-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperazine
CID 1190535
1-ethyl-4-(2-phenylphenyl)sulfonyl-1,4-diazepane
CID 56541578
N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
CID 1429249
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590
phenyl 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonylbenzoate
CID 8765429
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine?
The IUPAC name of 1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine (CID 110757634) is 1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine is CCN1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine?
The InChIKey is FSGZJZJEVMIOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-2-19-12-14-20(15-13-19)23(21,22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3.
What are the key properties of 1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine?
1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine has a molecular weight of 330.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110757634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).