5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide

C10H15F3N2O3S2 — CID 106433466

IUPAC5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCSC(F)(F)F)o1
InChIInChI=1S/C10H15F3N2O3S2/c1-2-14-7-8-3-4-9(18-8)20(16,17)15-5-6-19-10(11,12)13/h3-4,14-15H,2,5-7H2,1H3
InChIKeyXZCHZAIEFCYDSM-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.92
Rot. Bonds8

About 5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide

5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide (PubChem CID 106433466) has the molecular formula C10H15F3N2O3S2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
PubChem CID106433466
Molecular FormulaC10H15F3N2O3S2
Molecular Weight332.37 g/mol
Exact Mass332.05
IUPAC Name5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCSC(F)(F)F)o1
InChIInChI=1S/C10H15F3N2O3S2/c1-2-14-7-8-3-4-9(18-8)20(16,17)15-5-6-19-10(11,12)13/h3-4,14-15H,2,5-7H2,1H3
InChIKeyXZCHZAIEFCYDSM-UHFFFAOYSA-N
XLogP1.92
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433441
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide
CID 106215501
N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106410034
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]furan-2-sulfonamide
CID 106410018
5-(ethylaminomethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-2-sulfonamide
CID 115457142
5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide
CID 106106529
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433689
N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
CID 106177091
5-(ethylaminomethyl)-N-[(2-methylcyclopentyl)methyl]furan-2-sulfonamide
CID 107421037

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide (CID 106433466) is 5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NCCSC(F)(F)F)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide?
The InChIKey is XZCHZAIEFCYDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3S2/c1-2-14-7-8-3-4-9(18-8)20(16,17)15-5-6-19-10(11,12)13/h3-4,14-15H,2,5-7H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide?
5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide has a molecular weight of 332.37 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide is sourced from PubChem (CID 106433466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).