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

C15H21Cl2N3O3S — CID 30171977

IUPAC2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O3S/c1-2-5-18-15(21)11-19-6-8-20(9-7-19)24(22,23)12-3-4-13(16)14(17)10-12/h3-4,10H,2,5-9,11H2,1H3,(H,18,21)
InChIKeyWRJLTYUKKGFASG-UHFFFAOYSA-N
MW394.32 g/mol
LogP1.83
Rot. Bonds6

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

2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide (PubChem CID 30171977) has the molecular formula C15H21Cl2N3O3S and a molecular weight of 394.32 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
PubChem CID30171977
Molecular FormulaC15H21Cl2N3O3S
Molecular Weight394.32 g/mol
Exact Mass393.07
IUPAC Name2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O3S/c1-2-5-18-15(21)11-19-6-8-20(9-7-19)24(22,23)12-3-4-13(16)14(17)10-12/h3-4,10H,2,5-9,11H2,1H3,(H,18,21)
InChIKeyWRJLTYUKKGFASG-UHFFFAOYSA-N
XLogP1.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide
CID 8693160
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8758053
N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 30172353
2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide
CID 8687525
(2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8691416
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 9023316
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 55354672
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30172111
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 17451454
2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide
CID 30872696

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide (CID 30171977) is 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide?
The InChIKey is WRJLTYUKKGFASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O3S/c1-2-5-18-15(21)11-19-6-8-20(9-7-19)24(22,23)12-3-4-13(16)14(17)10-12/h3-4,10H,2,5-9,11H2,1H3,(H,18,21).
What are the key properties of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide?
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide has a molecular weight of 394.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 30171977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).