N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide

C17H20FN5O3S — CID 113154693

IUPACN-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1F
InChIInChI=1S/C17H20FN5O3S/c1-27(25,26)23(15-6-3-2-5-14(15)18)13-16(24)21-9-11-22(12-10-21)17-19-7-4-8-20-17/h2-8H,9-13H2,1H3
InChIKeyUGZPRZKLPHQTCC-UHFFFAOYSA-N
MW393.44 g/mol
LogP0.73
Rot. Bonds5

About N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide

N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide (PubChem CID 113154693) has the molecular formula C17H20FN5O3S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide
PubChem CID113154693
Molecular FormulaC17H20FN5O3S
Molecular Weight393.44 g/mol
Exact Mass393.13
IUPAC NameN-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1F
InChIInChI=1S/C17H20FN5O3S/c1-27(25,26)23(15-6-3-2-5-14(15)18)13-16(24)21-9-11-22(12-10-21)17-19-7-4-8-20-17/h2-8H,9-13H2,1H3
InChIKeyUGZPRZKLPHQTCC-UHFFFAOYSA-N
XLogP0.73
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 53283438
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenoxyphenyl)methanesulfonamide
CID 30266355
N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113157562
3-[(2-fluorophenyl)methyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 55568353
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30262751
N-(2-fluorophenyl)-N-[2-(3-isoquinolin-3-ylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 110221360
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide
CID 113167136
N-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 35560039
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109029805
N-(2,3-dichlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1320179
methyl 2-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155867

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide (CID 113154693) is N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide?
The InChIKey is UGZPRZKLPHQTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O3S/c1-27(25,26)23(15-6-3-2-5-14(15)18)13-16(24)21-9-11-22(12-10-21)17-19-7-4-8-20-17/h2-8H,9-13H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide?
N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide has a molecular weight of 393.44 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 113154693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).