N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide

C15H20FN3O4S — CID 112991969

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C15H20FN3O4S/c1-11-9-13(3-4-14(11)16)24(22,23)17-10-15(21)19-7-5-18(6-8-19)12(2)20/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyQZQYLRMFPXGDAJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.10
Rot. Bonds4

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 112991969) has the molecular formula C15H20FN3O4S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID112991969
Molecular FormulaC15H20FN3O4S
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C15H20FN3O4S/c1-11-9-13(3-4-14(11)16)24(22,23)17-10-15(21)19-7-5-18(6-8-19)12(2)20/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyQZQYLRMFPXGDAJ-UHFFFAOYSA-N
XLogP0.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995681
N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110736227
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
CID 112991971
3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712399
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
4-bromo-3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668245
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide
CID 112991968
N-[3-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 49071768
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113002239
N-(3,5-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 113001384
2-chloro-1-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 28705564
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 112992360

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide (CID 112991969) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide is CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(C)c2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is QZQYLRMFPXGDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4S/c1-11-9-13(3-4-14(11)16)24(22,23)17-10-15(21)19-7-5-18(6-8-19)12(2)20/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 112991969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).