N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide

C18H17Cl4N3O3S — CID 2685785

IUPACN-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H17Cl4N3O3S/c19-12-4-5-13(20)16(10-12)29(27,28)25-8-6-24(7-9-25)11-17(26)23-18-14(21)2-1-3-15(18)22/h1-5,10H,6-9,11H2,(H,23,26)
InChIKeyJSBSMGSTYSYYTL-UHFFFAOYSA-N
MW497.23 g/mol
LogP4.25
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide

N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 2685785) has the molecular formula C18H17Cl4N3O3S and a molecular weight of 497.23 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID2685785
Molecular FormulaC18H17Cl4N3O3S
Molecular Weight497.23 g/mol
Exact Mass494.97
IUPAC NameN-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H17Cl4N3O3S/c19-12-4-5-13(20)16(10-12)29(27,28)25-8-6-24(7-9-25)11-17(26)23-18-14(21)2-1-3-15(18)22/h1-5,10H,6-9,11H2,(H,23,26)
InChIKeyJSBSMGSTYSYYTL-UHFFFAOYSA-N
XLogP4.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2655938
N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3910808
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20970601
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 3236568
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4194583
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5079389
2-[4-(5-chloro-2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide
CID 3853860
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 17487617
N-(2,3-dichlorophenyl)-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27186727
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26573911
N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46374953
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 27182964

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 2685785) is N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is JSBSMGSTYSYYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl4N3O3S/c19-12-4-5-13(20)16(10-12)29(27,28)25-8-6-24(7-9-25)11-17(26)23-18-14(21)2-1-3-15(18)22/h1-5,10H,6-9,11H2,(H,23,26).
What are the key properties of N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 497.23 g/mol, XLogP of 4.25, 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-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 2685785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).