[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone

C17H16Cl2N2O3S — CID 23853559

IUPAC[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H16Cl2N2O3S/c18-15-7-6-14(12-16(15)19)25(23,24)21-10-8-20(9-11-21)17(22)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyCSPWROZOQRIEDI-UHFFFAOYSA-N
MW399.30 g/mol
LogP3.14
Rot. Bonds3

About [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone

[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone (PubChem CID 23853559) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
PubChem CID23853559
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC Name[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H16Cl2N2O3S/c18-15-7-6-14(12-16(15)19)25(23,24)21-10-8-20(9-11-21)17(22)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyCSPWROZOQRIEDI-UHFFFAOYSA-N
XLogP3.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26869413
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-phenylmethanone;oxalic acid
CID 163326596
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 55570724
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 39696465
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 26559266
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1H-indol-2-yl)methanone
CID 36723786
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17425720
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 39636324
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 36723947
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 5295909

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone (CID 23853559) is [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone?
The InChIKey is CSPWROZOQRIEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c18-15-7-6-14(12-16(15)19)25(23,24)21-10-8-20(9-11-21)17(22)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone?
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone has a molecular weight of 399.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 23853559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).