N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide

C16H19FN2O2S — CID 16890415

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
SMILESCN(C)c1ccc(CCNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H19FN2O2S/c1-19(2)14-9-7-13(8-10-14)11-12-18-22(20,21)16-6-4-3-5-15(16)17/h3-10,18H,11-12H2,1-2H3
InChIKeyPFBPLYKNHYSJEF-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.41
Rot. Bonds6

About N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide (PubChem CID 16890415) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
PubChem CID16890415
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
SMILESCN(C)c1ccc(CCNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H19FN2O2S/c1-19(2)14-9-7-13(8-10-14)11-12-18-22(20,21)16-6-4-3-5-15(16)17/h3-10,18H,11-12H2,1-2H3
InChIKeyPFBPLYKNHYSJEF-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 16890483
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
CID 7497838
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide
CID 16890478
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429
2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 16890439
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]-2-fluorobenzenesulfonamide
CID 7498049
N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 62502665
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-fluorobenzenesulfonamide
CID 7498356
1-N-[2-(4-aminophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 120715586
diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium
CID 2161438

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide (CID 16890415) is N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide is CN(C)c1ccc(CCNS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide?
The InChIKey is PFBPLYKNHYSJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-19(2)14-9-7-13(8-10-14)11-12-18-22(20,21)16-6-4-3-5-15(16)17/h3-10,18H,11-12H2,1-2H3.
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide has a molecular weight of 322.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 16890415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).