N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide

C15H21N3O4S — CID 4857720

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O4S/c1-13(19)17-9-11-18(12-10-17)15(20)7-8-16-23(21,22)14-5-3-2-4-6-14/h2-6,16H,7-12H2,1H3
InChIKeySBNKDMYOLSURJG-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.05
Rot. Bonds5

About N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 4857720) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID4857720
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O4S/c1-13(19)17-9-11-18(12-10-17)15(20)7-8-16-23(21,22)14-5-3-2-4-6-14/h2-6,16H,7-12H2,1H3
InChIKeySBNKDMYOLSURJG-UHFFFAOYSA-N
XLogP0.05
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6467110
N-{2-[(phenylsulfonyl)amino]ethyl}acetamide
CID 235761
2-[(Phenylsulfonyl)amino]-1-pyrrolidinylethan-1-one
CID 891761
1-[N-(phenylsulfonyl)glycylglycyl]piperidine
CID 2233338
N-[3-(4-morpholinyl)-3-oxopropyl]benzenesulfonamide (non-preferred name)
CID 2977215
N~1~-[3-(1-Azepanyl)-3-oxopropyl]-1-benzenesulfonamide
CID 2977982
N-ethyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 2991053
4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide
CID 1433329
4-(4-Fluorophenylsulfonyl)piperazin-2-one
CID 4320295
4-(Phenylsulfonyl)-2-piperazinone
CID 9397001
FR 121196
CID 131688
N~1~-[3-(4-Methylpiperidino)-3-oxopropyl]-1-benzenesulfonamide
CID 2537450

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 4857720) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide is CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is SBNKDMYOLSURJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-13(19)17-9-11-18(12-10-17)15(20)7-8-16-23(21,22)14-5-3-2-4-6-14/h2-6,16H,7-12H2,1H3.
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 4857720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).