4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide

C19H21Cl2N3O3S — CID 86903654

IUPAC4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C19H21Cl2N3O3S/c1-22-28(26,27)16-7-5-14(6-8-16)19(25)24-11-9-23(10-12-24)13-15-3-2-4-17(20)18(15)21/h2-8,22H,9-13H2,1H3
InChIKeySFPIKZONPLKCBS-UHFFFAOYSA-N
MW442.37 g/mol
LogP2.86
Rot. Bonds5

About 4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide

4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide (PubChem CID 86903654) has the molecular formula C19H21Cl2N3O3S and a molecular weight of 442.37 g/mol. Its IUPAC name is 4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide
PubChem CID86903654
Molecular FormulaC19H21Cl2N3O3S
Molecular Weight442.37 g/mol
Exact Mass441.07
IUPAC Name4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C19H21Cl2N3O3S/c1-22-28(26,27)16-7-5-14(6-8-16)19(25)24-11-9-23(10-12-24)13-15-3-2-4-17(20)18(15)21/h2-8,22H,9-13H2,1H3
InChIKeySFPIKZONPLKCBS-UHFFFAOYSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone
CID 129043182
N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide
CID 86903584
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18268795
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 19294945
4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 60574602
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 8641686
(2R)-2-amino-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 99718988
4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide
CID 55346373
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
N-[4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 46510071
N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55706599

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide (CID 86903654) is 4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1.
What is the InChIKey of 4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
The InChIKey is SFPIKZONPLKCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3S/c1-22-28(26,27)16-7-5-14(6-8-16)19(25)24-11-9-23(10-12-24)13-15-3-2-4-17(20)18(15)21/h2-8,22H,9-13H2,1H3.
What are the key properties of 4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide has a molecular weight of 442.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 86903654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).