2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide

C18H19Cl2N3O3S — CID 2685618

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2N3O3S/c19-16-7-6-14(12-17(16)20)21-18(24)13-22-8-10-23(11-9-22)27(25,26)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyRGGBLOJLAMJKIK-UHFFFAOYSA-N
MW428.34 g/mol
LogP2.94
Rot. Bonds5

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 2685618) has the molecular formula C18H19Cl2N3O3S and a molecular weight of 428.34 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
PubChem CID2685618
Molecular FormulaC18H19Cl2N3O3S
Molecular Weight428.34 g/mol
Exact Mass427.05
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2N3O3S/c19-16-7-6-14(12-17(16)20)21-18(24)13-22-8-10-23(11-9-22)27(25,26)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyRGGBLOJLAMJKIK-UHFFFAOYSA-N
XLogP2.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide (CID 2685618) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is RGGBLOJLAMJKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3S/c19-16-7-6-14(12-17(16)20)21-18(24)13-22-8-10-23(11-9-22)27(25,26)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,21,24).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 428.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 2685618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).