4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one

C12H17N3O3S — CID 62144052

IUPAC4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
SMILESCCNc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H17N3O3S/c1-2-13-10-3-5-11(6-4-10)19(17,18)15-8-7-14-12(16)9-15/h3-6,13H,2,7-9H2,1H3,(H,14,16)
InChIKeyGYNYSBMXGPPQJJ-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.24
Rot. Bonds4

About 4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one

4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one (PubChem CID 62144052) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
PubChem CID62144052
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
SMILESCCNc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H17N3O3S/c1-2-13-10-3-5-11(6-4-10)19(17,18)15-8-7-14-12(16)9-15/h3-6,13H,2,7-9H2,1H3,(H,14,16)
InChIKeyGYNYSBMXGPPQJJ-UHFFFAOYSA-N
XLogP0.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one
CID 43154652
4-(4-tert-butylphenyl)sulfonylpiperazin-2-one
CID 2465157
4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955
3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 63604777
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31856760
N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 63162308
4-(4-isocyanatophenyl)sulfonylpiperazin-2-one
CID 53417854
N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31983039
4-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperazin-2-one
CID 48560421
1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol
CID 107408422
N-[4-(azepan-1-yl)phenyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55596636

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one (CID 62144052) is 4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one is CCNc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one?
The InChIKey is GYNYSBMXGPPQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-13-10-3-5-11(6-4-10)19(17,18)15-8-7-14-12(16)9-15/h3-6,13H,2,7-9H2,1H3,(H,14,16).
What are the key properties of 4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one?
4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one has a molecular weight of 283.35 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 62144052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).