2-(4-acetylpiperazin-1-yl)benzenesulfonamide

C12H17N3O3S — CID 166232580

IUPAC2-(4-acetylpiperazin-1-yl)benzenesulfonamide
SMILESCC(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1
InChIInChI=1S/C12H17N3O3S/c1-10(16)14-6-8-15(9-7-14)11-4-2-3-5-12(11)19(13,17)18/h2-5H,6-9H2,1H3,(H2,13,17,18)
InChIKeyFRJAMPRZGXDEAC-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.00
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)benzenesulfonamide

2-(4-acetylpiperazin-1-yl)benzenesulfonamide (PubChem CID 166232580) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)benzenesulfonamide
PubChem CID166232580
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(4-acetylpiperazin-1-yl)benzenesulfonamide
SMILESCC(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1
InChIInChI=1S/C12H17N3O3S/c1-10(16)14-6-8-15(9-7-14)11-4-2-3-5-12(11)19(13,17)18/h2-5H,6-9H2,1H3,(H2,13,17,18)
InChIKeyFRJAMPRZGXDEAC-UHFFFAOYSA-N
XLogP0.00
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide
CID 86818361
3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid
CID 55166923
1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone
CID 59454370
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide
CID 166406112
2-[4-[3-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-methylbenzoyl]piperazin-1-yl]benzenesulfonamide;methane
CID 158735984
2-[4-[2,4-dimethyl-5-[[1-(2-methylphenyl)pyrrolidin-3-yl]amino]benzoyl]piperazin-1-yl]benzenesulfonamide
CID 155322698
4-(2-ethylphenyl)piperazine-1-carboxamide
CID 70281213
[4-(4-acetylpiperazin-1-yl)phenyl] 2-bromobenzenesulfonate
CID 31391128
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169371936
(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(2-methylsulfonylphenyl)piperazin-1-yl]propan-1-one
CID 58996760
1-[4-(2-azidophenyl)piperazin-1-yl]ethanone
CID 151820307

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)benzenesulfonamide (CID 166232580) is 2-(4-acetylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)benzenesulfonamide is CC(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is FRJAMPRZGXDEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-10(16)14-6-8-15(9-7-14)11-4-2-3-5-12(11)19(13,17)18/h2-5H,6-9H2,1H3,(H2,13,17,18).
What are the key properties of 2-(4-acetylpiperazin-1-yl)benzenesulfonamide?
2-(4-acetylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 166232580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).