N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide

C17H21FN2O2S — CID 3863839

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide
SMILESCCN(CCNS(=O)(=O)c1ccccc1F)c1cccc(C)c1
InChIInChI=1S/C17H21FN2O2S/c1-3-20(15-8-6-7-14(2)13-15)12-11-19-23(21,22)17-10-5-4-9-16(17)18/h4-10,13,19H,3,11-12H2,1-2H3
InChIKeyPLFOMDPOSZXIRX-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.94
Rot. Bonds7

About N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide (PubChem CID 3863839) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide
PubChem CID3863839
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide
SMILESCCN(CCNS(=O)(=O)c1ccccc1F)c1cccc(C)c1
InChIInChI=1S/C17H21FN2O2S/c1-3-20(15-8-6-7-14(2)13-15)12-11-19-23(21,22)17-10-5-4-9-16(17)18/h4-10,13,19H,3,11-12H2,1-2H3
InChIKeyPLFOMDPOSZXIRX-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(N-ethyl-3-methylanilino)ethyl]benzenesulfonamide
CID 3683991
N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide
CID 38257263
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N-[(2S)-1-[2-(N-ethyl-3-methylanilino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55936357
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium
CID 2161438
CID 138691667
CID 138691667
N-tert-butyl-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 61077284
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133
N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62561635
1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3339643

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide (CID 3863839) is N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide is CCN(CCNS(=O)(=O)c1ccccc1F)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide?
The InChIKey is PLFOMDPOSZXIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-3-20(15-8-6-7-14(2)13-15)12-11-19-23(21,22)17-10-5-4-9-16(17)18/h4-10,13,19H,3,11-12H2,1-2H3.
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide has a molecular weight of 336.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 3863839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).