N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide

C15H23N3O3S — CID 110368214

IUPACN-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C15H23N3O3S/c1-3-11-22(20,21)16-14-5-4-6-15(12-14)18-9-7-17(8-10-18)13(2)19/h4-6,12,16H,3,7-11H2,1-2H3
InChIKeyDMEGQMUASWJZHB-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.51
Rot. Bonds5

About N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide

N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide (PubChem CID 110368214) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide
PubChem CID110368214
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C15H23N3O3S/c1-3-11-22(20,21)16-14-5-4-6-15(12-14)18-9-7-17(8-10-18)13(2)19/h4-6,12,16H,3,7-11H2,1-2H3
InChIKeyDMEGQMUASWJZHB-UHFFFAOYSA-N
XLogP1.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 36748465
N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 113078258
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
CID 112984531
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
CID 110615144
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide
CID 110352271
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide
CID 113014317
1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea
CID 110368197
4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
tert-butyl 4-[3-(propylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 36806170

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide (CID 110368214) is N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide?
The InChIKey is DMEGQMUASWJZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-11-22(20,21)16-14-5-4-6-15(12-14)18-9-7-17(8-10-18)13(2)19/h4-6,12,16H,3,7-11H2,1-2H3.
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide?
N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide has a molecular weight of 325.43 g/mol, XLogP of 1.51, 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)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 110368214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).