N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide

C17H21FN2O2S — CID 16890483

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCN(C)c1ccc(CCNS(=O)(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C17H21FN2O2S/c1-20(2)16-9-7-14(8-10-16)11-12-19-23(21,22)13-15-5-3-4-6-17(15)18/h3-10,19H,11-13H2,1-2H3
InChIKeyNCWJEODTACBQEQ-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.55
Rot. Bonds7

About N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 16890483) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide
PubChem CID16890483
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCN(C)c1ccc(CCNS(=O)(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C17H21FN2O2S/c1-20(2)16-9-7-14(8-10-16)11-12-19-23(21,22)13-15-5-3-4-6-17(15)18/h3-10,19H,11-13H2,1-2H3
InChIKeyNCWJEODTACBQEQ-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.55
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-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 51133224
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
CID 16890415
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)propanamide
CID 110627058
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110307160
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 95309064
3-[2-[(2-fluorophenyl)methylsulfonylamino]ethyl]benzoic acid
CID 166224473
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111266859
1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene
CID 35310058
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide
CID 16890478
(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 97139155
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38949164
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide (CID 16890483) is N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide is CN(C)c1ccc(CCNS(=O)(=O)Cc2ccccc2F)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is NCWJEODTACBQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-20(2)16-9-7-14(8-10-16)11-12-19-23(21,22)13-15-5-3-4-6-17(15)18/h3-10,19H,11-13H2,1-2H3.
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 336.43 g/mol, XLogP of 2.55, 7 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]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 16890483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).