methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate

C15H21N3O5S — CID 119967426

IUPACmethyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H21N3O5S/c1-17(11-14(19)18-9-7-16-8-10-18)24(21,22)13-5-3-12(4-6-13)15(20)23-2/h3-6,16H,7-11H2,1-2H3
InChIKeyWTYSHIUPFBMFIQ-UHFFFAOYSA-N
MW355.42 g/mol
LogP-0.47
Rot. Bonds5

About methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate

methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate (PubChem CID 119967426) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate
PubChem CID119967426
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Namemethyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H21N3O5S/c1-17(11-14(19)18-9-7-16-8-10-18)24(21,22)13-5-3-12(4-6-13)15(20)23-2/h3-6,16H,7-11H2,1-2H3
InChIKeyWTYSHIUPFBMFIQ-UHFFFAOYSA-N
XLogP-0.47
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-iodo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018949
methyl 4-methyl-3-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate;hydrochloride
CID 119967573
3,5-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967371
2-methoxy-5-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzamide;hydrochloride
CID 119967340
4-bromo-N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967420
4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967593
3-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018552
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119967344
2,3,4-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 120707682
methyl 2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757120
2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018551
methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 119965724

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate (CID 119967426) is methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)cc1.
What is the InChIKey of methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate?
The InChIKey is WTYSHIUPFBMFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-17(11-14(19)18-9-7-16-8-10-18)24(21,22)13-5-3-12(4-6-13)15(20)23-2/h3-6,16H,7-11H2,1-2H3.
What are the key properties of methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate?
methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate has a molecular weight of 355.42 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate is sourced from PubChem (CID 119967426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).