1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one

C16H23ClN2O4S — CID 110817644

IUPAC1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O4S/c1-3-4-5-16(20)18-8-10-19(11-9-18)24(21,22)13-6-7-15(23-2)14(17)12-13/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyRQHOHMMOXFXSMS-UHFFFAOYSA-N
MW374.89 g/mol
LogP2.37
Rot. Bonds6

About 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one

1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one (PubChem CID 110817644) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one
PubChem CID110817644
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC Name1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O4S/c1-3-4-5-16(20)18-8-10-19(11-9-18)24(21,22)13-6-7-15(23-2)14(17)12-13/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyRQHOHMMOXFXSMS-UHFFFAOYSA-N
XLogP2.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817356
1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665618
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 78780026
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 17191316
1-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817640
1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817212
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 30807079
1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817215
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]hexan-1-one
CID 78780039
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 78781800
1-[4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796516
1-[4-(2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797287

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one (CID 110817644) is 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one?
The InChIKey is RQHOHMMOXFXSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-3-4-5-16(20)18-8-10-19(11-9-18)24(21,22)13-6-7-15(23-2)14(17)12-13/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one?
1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one has a molecular weight of 374.89 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one is sourced from PubChem (CID 110817644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).