3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide

C11H15N3O5S2 — CID 63361950

IUPAC3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide
SMILESCC1C(=O)NCCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15N3O5S2/c1-8-11(15)13-5-6-14(8)21(18,19)10-4-2-3-9(7-10)20(12,16)17/h2-4,7-8H,5-6H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyAAHFZBGORGURNY-UHFFFAOYSA-N
MW333.39 g/mol
LogP-1.16
Rot. Bonds3

About 3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide

3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 63361950) has the molecular formula C11H15N3O5S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide
PubChem CID63361950
Molecular FormulaC11H15N3O5S2
Molecular Weight333.39 g/mol
Exact Mass333.05
IUPAC Name3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide
SMILESCC1C(=O)NCCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15N3O5S2/c1-8-11(15)13-5-6-14(8)21(18,19)10-4-2-3-9(7-10)20(12,16)17/h2-4,7-8H,5-6H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyAAHFZBGORGURNY-UHFFFAOYSA-N
XLogP-1.16
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63607350
2-bromo-5-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63606843
4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63362640
4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 63606240
3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide
CID 104975055
4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one
CID 63606437
4-(3-amino-4,5-dimethylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63594763
4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-methylpiperazin-2-one
CID 63362855
4-(3-amino-5-chloro-4-methylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63595113
3-methyl-4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
CID 63607963
4-(4-amino-2,6-dimethylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 79589199
3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfonyl)piperazin-2-one
CID 63606099

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of 3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide (CID 63361950) is 3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for 3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide is CC1C(=O)NCCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is AAHFZBGORGURNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S2/c1-8-11(15)13-5-6-14(8)21(18,19)10-4-2-3-9(7-10)20(12,16)17/h2-4,7-8H,5-6H2,1H3,(H,13,15)(H2,12,16,17).
What are the key properties of 3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide?
3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 333.39 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 63361950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).