2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide

C13H19N3O6S2 — CID 171134280

IUPAC2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1C(N)=O
InChIInChI=1S/C13H19N3O6S2/c1-22-12-4-3-10(9-11(12)13(14)17)24(20,21)16-7-5-15(6-8-16)23(2,18)19/h3-4,9H,5-8H2,1-2H3,(H2,14,17)
InChIKeyQNUIQENJSYQZTL-UHFFFAOYSA-N
MW377.44 g/mol
LogP-0.94
Rot. Bonds5

About 2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide

2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 171134280) has the molecular formula C13H19N3O6S2 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
PubChem CID171134280
Molecular FormulaC13H19N3O6S2
Molecular Weight377.44 g/mol
Exact Mass377.07
IUPAC Name2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1C(N)=O
InChIInChI=1S/C13H19N3O6S2/c1-22-12-4-3-10(9-11(12)13(14)17)24(20,21)16-7-5-15(6-8-16)23(2,18)19/h3-4,9H,5-8H2,1-2H3,(H2,14,17)
InChIKeyQNUIQENJSYQZTL-UHFFFAOYSA-N
XLogP-0.94
TPSA127.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 146024506
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-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 20982775
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 110818979
2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
CID 119983942
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2-methoxybenzamide;hydrochloride
CID 119989115
5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 122350947
2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide
CID 122339159
5-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 122340441
2-methoxy-5-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzamide
CID 122343959

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide (CID 171134280) is 2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is QNUIQENJSYQZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O6S2/c1-22-12-4-3-10(9-11(12)13(14)17)24(20,21)16-7-5-15(6-8-16)23(2,18)19/h3-4,9H,5-8H2,1-2H3,(H2,14,17).
What are the key properties of 2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide?
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 377.44 g/mol, XLogP of -0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 171134280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).