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

C12H15Cl2N3O3S — CID 4194583

IUPAC2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H15Cl2N3O3S/c13-9-1-2-10(14)11(7-9)21(19,20)17-5-3-16(4-6-17)8-12(15)18/h1-2,7H,3-6,8H2,(H2,15,18)
InChIKeyQLNAZWNUHRHCRA-UHFFFAOYSA-N
MW352.24 g/mol
LogP0.79
Rot. Bonds4

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

2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 4194583) has the molecular formula C12H15Cl2N3O3S and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID4194583
Molecular FormulaC12H15Cl2N3O3S
Molecular Weight352.24 g/mol
Exact Mass351.02
IUPAC Name2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H15Cl2N3O3S/c13-9-1-2-10(14)11(7-9)21(19,20)17-5-3-16(4-6-17)8-12(15)18/h1-2,7H,3-6,8H2,(H2,15,18)
InChIKeyQLNAZWNUHRHCRA-UHFFFAOYSA-N
XLogP0.79
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 27182964
N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2685785
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone
CID 20970600
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 3236568
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 16615041
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 43816576
1-(2-chloroethyl)-4-(2,5-dichlorophenyl)sulfonyl-1,4-diazepane
CID 63397365
(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8748349
2-[4-(2-chloro-5-fluorophenyl)sulfonylpiperazin-1-yl]acetic acid
CID 105399674
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5079389
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20970601

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 4194583) is 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide is NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is QLNAZWNUHRHCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O3S/c13-9-1-2-10(14)11(7-9)21(19,20)17-5-3-16(4-6-17)8-12(15)18/h1-2,7H,3-6,8H2,(H2,15,18).
What are the key properties of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide?
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 352.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 4194583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).