2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

C17H21N5O3S — CID 112994726

IUPAC2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H21N5O3S/c1-14-5-2-3-6-15(14)26(24,25)20-13-16(23)21-9-11-22(12-10-21)17-18-7-4-8-19-17/h2-8,20H,9-13H2,1H3
InChIKeyVQWVFCIYNWIOLY-UHFFFAOYSA-N
MW375.45 g/mol
LogP0.41
Rot. Bonds5

About 2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 112994726) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID112994726
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H21N5O3S/c1-14-5-2-3-6-15(14)26(24,25)20-13-16(23)21-9-11-22(12-10-21)17-18-7-4-8-19-17/h2-8,20H,9-13H2,1H3
InChIKeyVQWVFCIYNWIOLY-UHFFFAOYSA-N
XLogP0.41
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 22583185
2-[(2-methylphenyl)methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108996536
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 4968832
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112994676
2-(4-methylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 4803568
2-(3,4-dimethylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004883
2-(2,6-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 4816169
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004974
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoline-5-sulfonamide
CID 16748387
2-(propylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671666
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 115671903

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 112994726) is 2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is VQWVFCIYNWIOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-14-5-2-3-6-15(14)26(24,25)20-13-16(23)21-9-11-22(12-10-21)17-18-7-4-8-19-17/h2-8,20H,9-13H2,1H3.
What are the key properties of 2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 112994726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).