N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide

C13H16F2N2O3S — CID 18141486

IUPACN-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H16F2N2O3S/c1-9(18)17-6-4-11(5-7-17)16-21(19,20)13-3-2-10(14)8-12(13)15/h2-3,8,11,16H,4-7H2,1H3
InChIKeyOZQKLXZOOVMWLN-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.25
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide

N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 18141486) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
PubChem CID18141486
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC NameN-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H16F2N2O3S/c1-9(18)17-6-4-11(5-7-17)16-21(19,20)13-3-2-10(14)8-12(13)15/h2-3,8,11,16H,4-7H2,1H3
InChIKeyOZQKLXZOOVMWLN-UHFFFAOYSA-N
XLogP1.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide
CID 52767566
2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906494
N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
CID 67182855
N-[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
CID 67392962
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
N-[(3S,4R,5S)-5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2,4-difluorobenzenesulfonamide
CID 125416986
(2S,3S)-3-amino-2-[4-[(2,4-difluorophenyl)sulfonylamino]cyclohexyl]-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxobutanamide
CID 23647714
3-fluoro-4-(oxan-4-ylsulfamoyl)benzoic acid
CID 79187362
3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 79180239
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
CID 79187274
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide (CID 18141486) is N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide is CC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is OZQKLXZOOVMWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c1-9(18)17-6-4-11(5-7-17)16-21(19,20)13-3-2-10(14)8-12(13)15/h2-3,8,11,16H,4-7H2,1H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide?
N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 318.34 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 18141486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).