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

C16H23Cl2N3O3S — CID 46630632

IUPAC2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H23Cl2N3O3S/c1-3-7-19-16(22)12(2)20-8-10-21(11-9-20)25(23,24)14-6-4-5-13(17)15(14)18/h4-6,12H,3,7-11H2,1-2H3,(H,19,22)
InChIKeyLXBGBEZFEPJFAX-UHFFFAOYSA-N
MW408.35 g/mol
LogP2.21
Rot. Bonds6

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

2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide (PubChem CID 46630632) has the molecular formula C16H23Cl2N3O3S and a molecular weight of 408.35 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
PubChem CID46630632
Molecular FormulaC16H23Cl2N3O3S
Molecular Weight408.35 g/mol
Exact Mass407.08
IUPAC Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H23Cl2N3O3S/c1-3-7-19-16(22)12(2)20-8-10-21(11-9-20)25(23,24)14-6-4-5-13(17)15(14)18/h4-6,12H,3,7-11H2,1-2H3,(H,19,22)
InChIKeyLXBGBEZFEPJFAX-UHFFFAOYSA-N
XLogP2.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55526129
(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8555307
(2S)-N-propyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493459
(2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide
CID 8599567
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 46563112
(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide
CID 8693885
(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9492812
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 46630871
(2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide
CID 94418958
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propylpropanamide
CID 9493871
(2S)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493354
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9493027

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide (CID 46630632) is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
The InChIKey is LXBGBEZFEPJFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O3S/c1-3-7-19-16(22)12(2)20-8-10-21(11-9-20)25(23,24)14-6-4-5-13(17)15(14)18/h4-6,12H,3,7-11H2,1-2H3,(H,19,22).
What are the key properties of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide has a molecular weight of 408.35 g/mol, XLogP of 2.21, 6 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-propylpropanamide is sourced from PubChem (CID 46630632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).