1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone

C18H18Cl2N2O3S — CID 24945317

IUPAC1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H18Cl2N2O3S/c19-15-11-16(20)13-17(12-15)26(24,25)22-8-6-21(7-9-22)18(23)10-14-4-2-1-3-5-14/h1-5,11-13H,6-10H2
InChIKeyKTJNYELGHYUNJB-UHFFFAOYSA-N
MW413.33 g/mol
LogP3.07
Rot. Bonds4

About 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone

1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone (PubChem CID 24945317) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
PubChem CID24945317
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H18Cl2N2O3S/c19-15-11-16(20)13-17(12-15)26(24,25)22-8-6-21(7-9-22)18(23)10-14-4-2-1-3-5-14/h1-5,11-13H,6-10H2
InChIKeyKTJNYELGHYUNJB-UHFFFAOYSA-N
XLogP3.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Isomerase, glucose
CID 1151718
Cyclohexyl(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)methanone
CID 24944972
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-(4-(trifluoromethyl)phenyl)ethanone
CID 24945479
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-phenylpropan-1-one
CID 24945480
4-(2-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-oxoethyl)benzonitrile
CID 24945635
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-3-(4-(trifluoromethyl)phenyl)propan-1-one
CID 24945636
3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 984480
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 3684814
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-(4-(trifluoromethyl)phenyl)propan-1-one
CID 24945315
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 24945559
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-(2-(trifluoromethyl)phenyl)ethanone
CID 24945637
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone
CID 24945796

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone (CID 24945317) is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
The InChIKey is KTJNYELGHYUNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c19-15-11-16(20)13-17(12-15)26(24,25)22-8-6-21(7-9-22)18(23)10-14-4-2-1-3-5-14/h1-5,11-13H,6-10H2.
What are the key properties of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone?
1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone has a molecular weight of 413.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 24945317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).