2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide

C17H25Cl2N3O3S — CID 8758220

IUPAC2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H25Cl2N3O3S/c1-3-13(4-2)20-16(23)12-21-8-10-22(11-9-21)26(24,25)15-7-5-6-14(18)17(15)19/h5-7,13H,3-4,8-12H2,1-2H3,(H,20,23)
InChIKeyKTAAGLAINYEMLG-UHFFFAOYSA-N
MW422.38 g/mol
LogP2.60
Rot. Bonds7

About 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide

2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide (PubChem CID 8758220) has the molecular formula C17H25Cl2N3O3S and a molecular weight of 422.38 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide
PubChem CID8758220
Molecular FormulaC17H25Cl2N3O3S
Molecular Weight422.38 g/mol
Exact Mass421.10
IUPAC Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H25Cl2N3O3S/c1-3-13(4-2)20-16(23)12-21-8-10-22(11-9-21)26(24,25)15-7-5-6-14(18)17(15)19/h5-7,13H,3-4,8-12H2,1-2H3,(H,20,23)
InChIKeyKTAAGLAINYEMLG-UHFFFAOYSA-N
XLogP2.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27186727
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 8754411
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 27194088
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744101
2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-ylacetamide
CID 9443872
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylacetamide
CID 32717261
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 46630632
N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3910808
N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2685785
N-[(2S)-pentan-2-yl]-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 8749052
2-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119265778

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide (CID 8758220) is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide?
The InChIKey is KTAAGLAINYEMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N3O3S/c1-3-13(4-2)20-16(23)12-21-8-10-22(11-9-21)26(24,25)15-7-5-6-14(18)17(15)19/h5-7,13H,3-4,8-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide?
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide has a molecular weight of 422.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 8758220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).