N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide

C14H19Cl2N3O3S — CID 8754411

IUPACN-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O3S/c1-11(20)17-5-6-18-7-9-19(10-8-18)23(21,22)13-4-2-3-12(15)14(13)16/h2-4H,5-10H2,1H3,(H,17,20)
InChIKeyGQBURMLQZHXJBD-UHFFFAOYSA-N
MW380.30 g/mol
LogP1.44
Rot. Bonds5

About N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide

N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide (PubChem CID 8754411) has the molecular formula C14H19Cl2N3O3S and a molecular weight of 380.30 g/mol. Its IUPAC name is N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
PubChem CID8754411
Molecular FormulaC14H19Cl2N3O3S
Molecular Weight380.30 g/mol
Exact Mass379.05
IUPAC NameN-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O3S/c1-11(20)17-5-6-18-7-9-19(10-8-18)23(21,22)13-4-2-3-12(15)14(13)16/h2-4H,5-10H2,1H3,(H,17,20)
InChIKeyGQBURMLQZHXJBD-UHFFFAOYSA-N
XLogP1.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide
CID 8754410
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 78862170
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide
CID 8758220
N-(2,3-dichlorophenyl)-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27186727
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 46630632
N-[2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 8685029
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 27563305
1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride
CID 2729556
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine
CID 45369123
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 39975356

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide (CID 8754411) is N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The InChIKey is GQBURMLQZHXJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O3S/c1-11(20)17-5-6-18-7-9-19(10-8-18)23(21,22)13-4-2-3-12(15)14(13)16/h2-4H,5-10H2,1H3,(H,17,20).
What are the key properties of N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide has a molecular weight of 380.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 8754411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).