2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide

C11H15F3N2O2S — CID 106056316

IUPAC2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H15F3N2O2S/c1-2-3-15-4-5-19(17,18)16-8-6-9(12)11(14)10(13)7-8/h6-7,15-16H,2-5H2,1H3
InChIKeyYUSPIADFQQEOBP-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.85
Rot. Bonds7

About 2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide

2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide (PubChem CID 106056316) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide
PubChem CID106056316
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H15F3N2O2S/c1-2-3-15-4-5-19(17,18)16-8-6-9(12)11(14)10(13)7-8/h6-7,15-16H,2-5H2,1H3
InChIKeyYUSPIADFQQEOBP-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114132499
N-(3-fluoro-4-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 107491506
N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide
CID 114141200
N-(3-fluoro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107478266
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanesulfonamide
CID 106066843
4-(propylamino)-N-(2,3,5-trifluorophenyl)butane-1-sulfonamide
CID 106056266
N-(4-bromo-3-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 114141110
N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114138711
4-chloro-N-(3,4,5-trifluorophenyl)butane-1-sulfonamide
CID 116816137
2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
CID 106057734
N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106065163
N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide
CID 106003339

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide?
The IUPAC name of 2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide (CID 106056316) is 2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide.
What is the SMILES notation for 2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide?
The canonical SMILES for 2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide is CCCNCCS(=O)(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide?
The InChIKey is YUSPIADFQQEOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-2-3-15-4-5-19(17,18)16-8-6-9(12)11(14)10(13)7-8/h6-7,15-16H,2-5H2,1H3.
What are the key properties of 2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide?
2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-(3,4,5-trifluorophenyl)ethanesulfonamide is sourced from PubChem (CID 106056316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).