2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide

C19H21Cl2N3O3S — CID 17487617

IUPAC2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H21Cl2N3O3S/c20-16-7-4-8-17(21)19(16)22-18(25)13-23-9-11-24(12-10-23)28(26,27)14-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,22,25)
InChIKeyMUNHTDOJTXPYFV-UHFFFAOYSA-N
MW442.37 g/mol
LogP3.08
Rot. Bonds6

About 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide

2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide (PubChem CID 17487617) has the molecular formula C19H21Cl2N3O3S and a molecular weight of 442.37 g/mol. Its IUPAC name is 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
PubChem CID17487617
Molecular FormulaC19H21Cl2N3O3S
Molecular Weight442.37 g/mol
Exact Mass441.07
IUPAC Name2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H21Cl2N3O3S/c20-16-7-4-8-17(21)19(16)22-18(25)13-23-9-11-24(12-10-23)28(26,27)14-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,22,25)
InChIKeyMUNHTDOJTXPYFV-UHFFFAOYSA-N
XLogP3.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 2697466
2-(4-benzylsulfonylpiperazin-1-yl)-N-[2-(2,3-dichlorophenyl)ethyl]acetamide
CID 60501288
N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3910808
2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide
CID 9443469
N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2685785
2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)acetamide
CID 17486617
2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9443334
3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 24596426
N-cyclopropyl-2-[4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30740870
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9443779
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55832362
2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
CID 26552718

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide (CID 17487617) is 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide is O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is MUNHTDOJTXPYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3S/c20-16-7-4-8-17(21)19(16)22-18(25)13-23-9-11-24(12-10-23)28(26,27)14-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,22,25).
What are the key properties of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide?
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 442.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 17487617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).