(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone

C13H16Cl2N2O3S — CID 47070210

IUPAC(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O3S/c1-2-21(19,20)17-8-6-16(7-9-17)13(18)10-4-3-5-11(14)12(10)15/h3-5H,2,6-9H2,1H3
InChIKeyMJIJEWAGMZFKLS-UHFFFAOYSA-N
MW351.26 g/mol
LogP2.10
Rot. Bonds3

About (2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone

(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone (PubChem CID 47070210) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
PubChem CID47070210
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O3S/c1-2-21(19,20)17-8-6-16(7-9-17)13(18)10-4-3-5-11(14)12(10)15/h3-5H,2,6-9H2,1H3
InChIKeyMJIJEWAGMZFKLS-UHFFFAOYSA-N
XLogP2.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798797
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 24765755
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 27562409
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 55748983
(2-chlorophenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365481
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
(2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone
CID 95775773
[4-[(2-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 110365412
(2,3-dichlorophenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26870266
(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55748861
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119720691

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone (CID 47070210) is (2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone is CCS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone?
The InChIKey is MJIJEWAGMZFKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c1-2-21(19,20)17-8-6-16(7-9-17)13(18)10-4-3-5-11(14)12(10)15/h3-5H,2,6-9H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone?
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone has a molecular weight of 351.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 47070210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).