3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one

C18H25Cl2N3O3S — CID 78862170

IUPAC3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)N1CCCCC1
InChIInChI=1S/C18H25Cl2N3O3S/c19-15-5-4-6-16(18(15)20)27(25,26)23-13-11-21(12-14-23)10-7-17(24)22-8-2-1-3-9-22/h4-6H,1-3,7-14H2
InChIKeyZZIWHDJKLKYYJJ-UHFFFAOYSA-N
MW434.39 g/mol
LogP2.70
Rot. Bonds5

About 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one

3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 78862170) has the molecular formula C18H25Cl2N3O3S and a molecular weight of 434.39 g/mol. Its IUPAC name is 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID78862170
Molecular FormulaC18H25Cl2N3O3S
Molecular Weight434.39 g/mol
Exact Mass433.10
IUPAC Name3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)N1CCCCC1
InChIInChI=1S/C18H25Cl2N3O3S/c19-15-5-4-6-16(18(15)20)27(25,26)23-13-11-21(12-14-23)10-7-17(24)22-8-2-1-3-9-22/h4-6H,1-3,7-14H2
InChIKeyZZIWHDJKLKYYJJ-UHFFFAOYSA-N
XLogP2.70
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8693911
3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 27163542
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 8754411
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422603
[3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 60527613
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 39975356
3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 78860534
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 26872241
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 55687787
3-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678970
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 26204875
2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668267

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 78862170) is 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one is O=C(CCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)N1CCCCC1.
What is the InChIKey of 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is ZZIWHDJKLKYYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O3S/c19-15-5-4-6-16(18(15)20)27(25,26)23-13-11-21(12-14-23)10-7-17(24)22-8-2-1-3-9-22/h4-6H,1-3,7-14H2.
What are the key properties of 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 434.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 78862170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).