N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide

C17H27FN2O2S — CID 60539994

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide
SMILESCC1CC(C)CN(CCCCNS(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C17H27FN2O2S/c1-14-11-15(2)13-20(12-14)10-6-5-9-19-23(21,22)17-8-4-3-7-16(17)18/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3
InChIKeyRUYXTXAXULUALM-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.86
Rot. Bonds7

About N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide

N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide (PubChem CID 60539994) has the molecular formula C17H27FN2O2S and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide
PubChem CID60539994
Molecular FormulaC17H27FN2O2S
Molecular Weight342.48 g/mol
Exact Mass342.18
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide
SMILESCC1CC(C)CN(CCCCNS(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C17H27FN2O2S/c1-14-11-15(2)13-20(12-14)10-6-5-9-19-23(21,22)17-8-4-3-7-16(17)18/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3
InChIKeyRUYXTXAXULUALM-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 115638756
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(2-fluorophenyl)propanamide
CID 47041716
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 16673287
2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate
CID 142259991
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 740148
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2,4-difluorobenzenesulfonamide
CID 21092238
N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide
CID 106154282
2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866734
N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide
CID 2093654
4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540391
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide
CID 55811483

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide (CID 60539994) is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide is CC1CC(C)CN(CCCCNS(=O)(=O)c2ccccc2F)C1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide?
The InChIKey is RUYXTXAXULUALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O2S/c1-14-11-15(2)13-20(12-14)10-6-5-9-19-23(21,22)17-8-4-3-7-16(17)18/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3.
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide?
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide has a molecular weight of 342.48 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 60539994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).