N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide

C21H26FN3O3S — CID 1252806

IUPACN-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(N([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H26FN3O3S/c1-16-4-8-20(9-5-16)25(29(3,27)28)17(2)21(26)24-14-12-23(13-15-24)19-10-6-18(22)7-11-19/h4-11,17H,12-15H2,1-3H3/t17-/m1/s1
InChIKeyKBWZDOAQASWBLH-QGZVFWFLSA-N
MW419.52 g/mol
LogP2.64
Rot. Bonds5

About N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide

N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide (PubChem CID 1252806) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
PubChem CID1252806
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC NameN-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(N([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H26FN3O3S/c1-16-4-8-20(9-5-16)25(29(3,27)28)17(2)21(26)24-14-12-23(13-15-24)19-10-6-18(22)7-11-19/h4-11,17H,12-15H2,1-3H3/t17-/m1/s1
InChIKeyKBWZDOAQASWBLH-QGZVFWFLSA-N
XLogP2.64
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methoxyphenyl)methanesulfonamide
CID 2915624
N-(4-ethoxyphenyl)-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 3147852
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide
CID 132671968
N-(2-fluorophenyl)-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 132667265
N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide
CID 53281423
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
CID 2967691
N-(3,4-dimethylphenyl)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 2972905
N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
CID 27046935
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 99130813
N-(2,5-dimethylphenyl)-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxobutan-2-yl]methanesulfonamide
CID 132674278
N-(4-chlorophenyl)-N-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 42561130
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide (CID 1252806) is N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide is Cc1ccc(N([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide?
The InChIKey is KBWZDOAQASWBLH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-16-4-8-20(9-5-16)25(29(3,27)28)17(2)21(26)24-14-12-23(13-15-24)19-10-6-18(22)7-11-19/h4-11,17H,12-15H2,1-3H3/t17-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide?
N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide has a molecular weight of 419.52 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 1252806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).