N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide

C11H15F3N2O2S — CID 120664616

IUPACN-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H15F3N2O2S/c1-3-15-7(2)6-16-19(17,18)11-5-9(13)8(12)4-10(11)14/h4-5,7,15-16H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyGNARRLFCFOPGSA-SSDOTTSWSA-N
MW296.31 g/mol
LogP1.38
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide

N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide (PubChem CID 120664616) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
PubChem CID120664616
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H15F3N2O2S/c1-3-15-7(2)6-16-19(17,18)11-5-9(13)8(12)4-10(11)14/h4-5,7,15-16H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyGNARRLFCFOPGSA-SSDOTTSWSA-N
XLogP1.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825556
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825289
N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
CID 120664946
3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide
CID 120713919
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120664685
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 120665116
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120713890
3-cyano-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 120664948
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120665143

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide (CID 120664616) is N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide is CCN[C@H](C)CNS(=O)(=O)c1cc(F)c(F)cc1F.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide?
The InChIKey is GNARRLFCFOPGSA-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-3-15-7(2)6-16-19(17,18)11-5-9(13)8(12)4-10(11)14/h4-5,7,15-16H,3,6H2,1-2H3/t7-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide?
N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide is sourced from PubChem (CID 120664616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).