N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide

C14H23FN2O2S — CID 107326452

IUPACN-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H23FN2O2S/c1-5-17(6-2)8-7-16-20(18,19)14-11(3)9-13(15)10-12(14)4/h9-10,16H,5-8H2,1-4H3
InChIKeyGNDOUYFFLWVWAL-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.06
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide

N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107326452) has the molecular formula C14H23FN2O2S and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107326452
Molecular FormulaC14H23FN2O2S
Molecular Weight302.42 g/mol
Exact Mass302.15
IUPAC NameN-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H23FN2O2S/c1-5-17(6-2)8-7-16-20(18,19)14-11(3)9-13(15)10-12(14)4/h9-10,16H,5-8H2,1-4H3
InChIKeyGNDOUYFFLWVWAL-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
CID 107327354
2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide
CID 103170957
N-[2-(dimethylsulfamoyl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106336296
3-amino-N-[2-(diethylamino)ethyl]-4-fluoro-5-methylbenzenesulfonamide
CID 115421066
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816
N-[2-(cyclopropylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328278
4-fluoro-2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106150602
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329415
N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328336
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
CID 107326194

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107326452) is N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is GNDOUYFFLWVWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-5-17(6-2)8-7-16-20(18,19)14-11(3)9-13(15)10-12(14)4/h9-10,16H,5-8H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107326452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).