4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide

C17H23Cl2N3O4S — CID 55363276

IUPAC4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O4S/c1-2-7-20-16(23)5-6-17(24)21-8-10-22(11-9-21)27(25,26)15-12-13(18)3-4-14(15)19/h3-4,12H,2,5-11H2,1H3,(H,20,23)
InChIKeyXTGQHCRXPQLQDA-UHFFFAOYSA-N
MW436.36 g/mol
LogP2.13
Rot. Bonds7

About 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide

4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide (PubChem CID 55363276) has the molecular formula C17H23Cl2N3O4S and a molecular weight of 436.36 g/mol. Its IUPAC name is 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide.

Molecular Properties

Compound Name4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide
PubChem CID55363276
Molecular FormulaC17H23Cl2N3O4S
Molecular Weight436.36 g/mol
Exact Mass435.08
IUPAC Name4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O4S/c1-2-7-20-16(23)5-6-17(24)21-8-10-22(11-9-21)27(25,26)15-12-13(18)3-4-14(15)19/h3-4,12H,2,5-11H2,1H3,(H,20,23)
InChIKeyXTGQHCRXPQLQDA-UHFFFAOYSA-N
XLogP2.13
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide
CID 56538813
1-[4-(5-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817392
N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55702024
N-[4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 30485343
1-[4-(5-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817241
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 16615041
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide
CID 70702635
2-cyclohexyl-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 38168445
4-(2,5-dichlorophenyl)sulfonyl-N-prop-2-enylpiperazine-1-carbothioamide
CID 8745410
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 9496684
(2S)-2-amino-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119265676
1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 6957242

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide?
The IUPAC name of 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide (CID 55363276) is 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide.
What is the SMILES notation for 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide?
The canonical SMILES for 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide is CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide?
The InChIKey is XTGQHCRXPQLQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O4S/c1-2-7-20-16(23)5-6-17(24)21-8-10-22(11-9-21)27(25,26)15-12-13(18)3-4-14(15)19/h3-4,12H,2,5-11H2,1H3,(H,20,23).
What are the key properties of 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide?
4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide has a molecular weight of 436.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide is sourced from PubChem (CID 55363276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).