4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide

C12H15N3O4S — CID 63606240

IUPAC4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESCC1C(=O)NCCN1S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C12H15N3O4S/c1-8-12(17)14-6-7-15(8)20(18,19)10-4-2-9(3-5-10)11(13)16/h2-5,8H,6-7H2,1H3,(H2,13,16)(H,14,17)
InChIKeyALSJRBPXUJXPGS-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.71
Rot. Bonds3

About 4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide

4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide (PubChem CID 63606240) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
PubChem CID63606240
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESCC1C(=O)NCCN1S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C12H15N3O4S/c1-8-12(17)14-6-7-15(8)20(18,19)10-4-2-9(3-5-10)11(13)16/h2-5,8H,6-7H2,1H3,(H2,13,16)(H,14,17)
InChIKeyALSJRBPXUJXPGS-UHFFFAOYSA-N
XLogP-0.71
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one
CID 63606437
3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63607350
2-bromo-5-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63606843
2-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylphenyl]acetonitrile
CID 79186265
3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide
CID 63361950
4-bromo-3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63606842
4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-methylpiperazin-2-one
CID 63362855
5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63607534
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide
CID 143068313
3-methyl-4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
CID 63607963
4-(3-amino-4,5-dimethylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63594763
4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63362640

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of 4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide (CID 63606240) is 4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for 4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide is CC1C(=O)NCCN1S(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide?
The InChIKey is ALSJRBPXUJXPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-8-12(17)14-6-7-15(8)20(18,19)10-4-2-9(3-5-10)11(13)16/h2-5,8H,6-7H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide?
4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide has a molecular weight of 297.34 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 63606240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).