(2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

C19H20Cl2N2O3S — CID 27514595

IUPAC(2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C19H20Cl2N2O3S/c1-13-3-4-14(2)18(11-13)27(25,26)23-9-7-22(8-10-23)19(24)16-12-15(20)5-6-17(16)21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyRJBVZOGWCSBRHB-UHFFFAOYSA-N
MW427.35 g/mol
LogP3.76
Rot. Bonds3

About (2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

(2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 27514595) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID27514595
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name(2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C19H20Cl2N2O3S/c1-13-3-4-14(2)18(11-13)27(25,26)23-9-7-22(8-10-23)19(24)16-12-15(20)5-6-17(16)21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyRJBVZOGWCSBRHB-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

(4-chlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674083
[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone
CID 26020417
1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113080251
4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide
CID 115532362
(4-aminophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119678550
(2,5-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822663
(4-chloro-2-nitrophenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27231446
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496
2-(4-chlorophenyl)sulfanyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 16573312
(2,4-dichlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4807172
3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 16589989
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-hydroxythiophen-2-yl)methanone
CID 75463156

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 27514595) is (2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c1.
What is the InChIKey of (2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is RJBVZOGWCSBRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-13-3-4-14(2)18(11-13)27(25,26)23-9-7-22(8-10-23)19(24)16-12-15(20)5-6-17(16)21/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of (2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
(2,5-dichlorophenyl)-[4-(2,5-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 (2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 27514595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).