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

C11H15N3O3S — CID 43154652

IUPAC4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one
SMILESCNc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C11H15N3O3S/c1-12-9-2-4-10(5-3-9)18(16,17)14-7-6-13-11(15)8-14/h2-5,12H,6-8H2,1H3,(H,13,15)
InChIKeyJDWSGSXHCBRLAI-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.15
Rot. Bonds3

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

4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one (PubChem CID 43154652) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one
PubChem CID43154652
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one
SMILESCNc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C11H15N3O3S/c1-12-9-2-4-10(5-3-9)18(16,17)14-7-6-13-11(15)8-14/h2-5,12H,6-8H2,1H3,(H,13,15)
InChIKeyJDWSGSXHCBRLAI-UHFFFAOYSA-N
XLogP-0.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 62144052
4-(4-tert-butylphenyl)sulfonylpiperazin-2-one
CID 2465157
4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955
4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one
CID 107328595
N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31856760
4-(azepan-1-ylsulfonyl)-N-methylaniline
CID 43154646
4-(azocan-1-ylsulfonyl)-N-methylaniline
CID 43332108
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
4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one
CID 62144746
4-[[6-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one
CID 65363865

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one (CID 43154652) is 4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one is CNc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one?
The InChIKey is JDWSGSXHCBRLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-12-9-2-4-10(5-3-9)18(16,17)14-7-6-13-11(15)8-14/h2-5,12H,6-8H2,1H3,(H,13,15).
What are the key properties of 4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one?
4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one has a molecular weight of 269.33 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 43154652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).