1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone

C16H23ClN2O4S — CID 110366193

IUPAC1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone
SMILESCCCCS(=O)(=O)N1CCN(C(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O4S/c1-2-3-12-24(21,22)19-10-8-18(9-11-19)16(20)13-23-15-7-5-4-6-14(15)17/h4-7H,2-3,8-13H2,1H3
InChIKeyDJNFDDZDELWKJZ-UHFFFAOYSA-N
MW374.89 g/mol
LogP1.99
Rot. Bonds7

About 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone

1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone (PubChem CID 110366193) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone
PubChem CID110366193
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC Name1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone
SMILESCCCCS(=O)(=O)N1CCN(C(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O4S/c1-2-3-12-24(21,22)19-10-8-18(9-11-19)16(20)13-23-15-7-5-4-6-14(15)17/h4-7H,2-3,8-13H2,1H3
InChIKeyDJNFDDZDELWKJZ-UHFFFAOYSA-N
XLogP1.99
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 108569920
1-(4-butylsulfonylpiperazin-1-yl)-4-(2-methylphenoxy)butan-1-one
CID 108569153
N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34355028
N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 18163237
1-[4-(1-butylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 55887149
1-(4-butylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 110364897
1-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110366169
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 39712498
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 26181380
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 9240158
2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 26419289
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone?
The IUPAC name of 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone (CID 110366193) is 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone.
What is the SMILES notation for 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone?
The canonical SMILES for 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone is CCCCS(=O)(=O)N1CCN(C(=O)COc2ccccc2Cl)CC1.
What is the InChIKey of 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone?
The InChIKey is DJNFDDZDELWKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-2-3-12-24(21,22)19-10-8-18(9-11-19)16(20)13-23-15-7-5-4-6-14(15)17/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone?
1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone has a molecular weight of 374.89 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone is sourced from PubChem (CID 110366193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).