N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide

C10H11F5N2O2S — CID 118636668

IUPACN-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H11F5N2O2S/c1-17(2)4-3-16-20(18,19)10-8(14)6(12)5(11)7(13)9(10)15/h16H,3-4H2,1-2H3
InChIKeyXTUPNWLQVKZMFB-UHFFFAOYSA-N
MW318.27 g/mol
LogP1.22
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide

N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide (PubChem CID 118636668) has the molecular formula C10H11F5N2O2S and a molecular weight of 318.27 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
PubChem CID118636668
Molecular FormulaC10H11F5N2O2S
Molecular Weight318.27 g/mol
Exact Mass318.05
IUPAC NameN-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H11F5N2O2S/c1-17(2)4-3-16-20(18,19)10-8(14)6(12)5(11)7(13)9(10)15/h16H,3-4H2,1-2H3
InChIKeyXTUPNWLQVKZMFB-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide
CID 90371590
4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 43257027
3-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methylbenzenesulfonamide
CID 113306253
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 2804483
N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide
CID 43935847
2-amino-N-[2-(dimethylamino)ethyl]pyrimidine-5-sulfonamide
CID 62149164
4-[2-(dimethylamino)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43319876
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 54888461
5-bromo-N-[2-(dimethylamino)ethyl]-2-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106032600
N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 8716782
N-[2-(dimethylamino)ethyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327931

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide (CID 118636668) is N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide is CN(C)CCNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
The InChIKey is XTUPNWLQVKZMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N2O2S/c1-17(2)4-3-16-20(18,19)10-8(14)6(12)5(11)7(13)9(10)15/h16H,3-4H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide has a molecular weight of 318.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide is sourced from PubChem (CID 118636668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).