(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

C19H20Cl2N2O3S — CID 27562835

IUPAC(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1C
InChIInChI=1S/C19H20Cl2N2O3S/c1-13-3-5-16(11-14(13)2)27(25,26)23-9-7-22(8-10-23)19(24)17-6-4-15(20)12-18(17)21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMMQIYDVNMQHEGK-UHFFFAOYSA-N
MW427.35 g/mol
LogP3.76
Rot. Bonds3

About (2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 27562835) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID27562835
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1C
InChIInChI=1S/C19H20Cl2N2O3S/c1-13-3-5-16(11-14(13)2)27(25,26)23-9-7-22(8-10-23)19(24)17-6-4-15(20)12-18(17)21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMMQIYDVNMQHEGK-UHFFFAOYSA-N
XLogP3.76
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4807172
(5-bromo-2-fluorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26872183
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 27829270
(3,6-dichloro-1-benzothiophen-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 22772714
(2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 33049140
(4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 110363728
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-chloro-5-piperidin-1-ylsulfonylphenyl)methanone
CID 26877578
(2,4-dichlorophenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078832
4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide
CID 115532362
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 39696465
(2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27514595
[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 166358091

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 27562835) is (2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1C.
What is the InChIKey of (2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is MMQIYDVNMQHEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-13-3-5-16(11-14(13)2)27(25,26)23-9-7-22(8-10-23)19(24)17-6-4-15(20)12-18(17)21/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of (2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 427.35 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 27562835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).