2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide

C13H17N3O5S — CID 146024506

IUPAC2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)C(=O)C2)cc1C(N)=O
InChIInChI=1S/C13H17N3O5S/c1-15-5-6-16(8-12(15)17)22(19,20)9-3-4-11(21-2)10(7-9)13(14)18/h3-4,7H,5-6,8H2,1-2H3,(H2,14,18)
InChIKeyHGUSAINQHPFNKA-UHFFFAOYSA-N
MW327.36 g/mol
LogP-0.74
Rot. Bonds4

About 2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide

2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide (PubChem CID 146024506) has the molecular formula C13H17N3O5S and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
PubChem CID146024506
Molecular FormulaC13H17N3O5S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)C(=O)C2)cc1C(N)=O
InChIInChI=1S/C13H17N3O5S/c1-15-5-6-16(8-12(15)17)22(19,20)9-3-4-11(21-2)10(7-9)13(14)18/h3-4,7H,5-6,8H2,1-2H3,(H2,14,18)
InChIKeyHGUSAINQHPFNKA-UHFFFAOYSA-N
XLogP-0.74
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708141
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
CID 119983942
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid
CID 146024578
2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide
CID 146024648
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2-methoxybenzamide;hydrochloride
CID 119989115
2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 20982775
2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776
2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide
CID 122339159
5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 122350947
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide (CID 146024506) is 2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCN(C)C(=O)C2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide?
The InChIKey is HGUSAINQHPFNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S/c1-15-5-6-16(8-12(15)17)22(19,20)9-3-4-11(21-2)10(7-9)13(14)18/h3-4,7H,5-6,8H2,1-2H3,(H2,14,18).
What are the key properties of 2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide?
2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide has a molecular weight of 327.36 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 146024506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).