[4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone

C22H26N2O4S — CID 55605182

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone
SMILESO=C(c1ccc(OC2CCCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O4S/c25-22(18-10-12-20(13-11-18)28-19-6-4-5-7-19)23-14-16-24(17-15-23)29(26,27)21-8-2-1-3-9-21/h1-3,8-13,19H,4-7,14-17H2
InChIKeyDWYCELNHOMXEHO-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.15
Rot. Bonds5

About [4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone (PubChem CID 55605182) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone
PubChem CID55605182
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone
SMILESO=C(c1ccc(OC2CCCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O4S/c25-22(18-10-12-20(13-11-18)28-19-6-4-5-7-19)23-14-16-24(17-15-23)29(26,27)21-8-2-1-3-9-21/h1-3,8-13,19H,4-7,14-17H2
InChIKeyDWYCELNHOMXEHO-UHFFFAOYSA-N
XLogP3.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
(4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 55605217
1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 110796362
[4-(benzenesulfonyl)piperazin-1-yl]-(4-butoxyphenyl)methanone
CID 9496030
[4-(benzenesulfonyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347167
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-phenoxyphenyl)methanone
CID 17491479
N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide
CID 46536984
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70703458
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone (CID 55605182) is [4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone is O=C(c1ccc(OC2CCCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone?
The InChIKey is DWYCELNHOMXEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c25-22(18-10-12-20(13-11-18)28-19-6-4-5-7-19)23-14-16-24(17-15-23)29(26,27)21-8-2-1-3-9-21/h1-3,8-13,19H,4-7,14-17H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone has a molecular weight of 414.53 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone is sourced from PubChem (CID 55605182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).