N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide

C16H24FN3O3S — CID 113139306

IUPACN-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCN1CCN(C(=O)CCN(Cc2ccc(F)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H24FN3O3S/c1-18-9-11-19(12-10-18)16(21)7-8-20(24(2,22)23)13-14-3-5-15(17)6-4-14/h3-6H,7-13H2,1-2H3
InChIKeyJXHVYSAYABVOMW-UHFFFAOYSA-N
MW357.45 g/mol
LogP0.75
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide

N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113139306) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113139306
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCN1CCN(C(=O)CCN(Cc2ccc(F)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H24FN3O3S/c1-18-9-11-19(12-10-18)16(21)7-8-20(24(2,22)23)13-14-3-5-15(17)6-4-14/h3-6H,7-13H2,1-2H3
InChIKeyJXHVYSAYABVOMW-UHFFFAOYSA-N
XLogP0.75
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 113139328
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 113139349
N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113138968
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
N-[(4-methoxyphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139616
N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113151250
2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801753
N-benzyl-4-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 3779168
3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 91068364
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 113151747
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110629304
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 113147065

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113139306) is N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide is CN1CCN(C(=O)CCN(Cc2ccc(F)cc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is JXHVYSAYABVOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-18-9-11-19(12-10-18)16(21)7-8-20(24(2,22)23)13-14-3-5-15(17)6-4-14/h3-6H,7-13H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 357.45 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113139306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).