N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

C18H18Cl2FN3O3S — CID 3910808

IUPACN-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl2FN3O3S/c19-13-4-3-5-14(20)18(13)22-17(25)12-23-8-10-24(11-9-23)28(26,27)16-7-2-1-6-15(16)21/h1-7H,8-12H2,(H,22,25)
InChIKeyDLVVENPUYHGOFT-UHFFFAOYSA-N
MW446.33 g/mol
LogP3.08
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 3910808) has the molecular formula C18H18Cl2FN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID3910808
Molecular FormulaC18H18Cl2FN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.04
IUPAC NameN-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl2FN3O3S/c19-13-4-3-5-14(20)18(13)22-17(25)12-23-8-10-24(11-9-23)28(26,27)16-7-2-1-6-15(16)21/h1-7H,8-12H2,(H,22,25)
InChIKeyDLVVENPUYHGOFT-UHFFFAOYSA-N
XLogP3.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
CID 8749460
N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2685785
4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
CID 5121585
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 27185152
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 8749430
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 17487617
methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8749312
N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24587410
N-(2,3-dichlorophenyl)-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27186727
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17448409
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8749332
N-[1-(4-fluorophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 55353743

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 3910808) is N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is DLVVENPUYHGOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FN3O3S/c19-13-4-3-5-14(20)18(13)22-17(25)12-23-8-10-24(11-9-23)28(26,27)16-7-2-1-6-15(16)21/h1-7H,8-12H2,(H,22,25).
What are the key properties of N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 446.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 3910808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).