5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide

C11H15F3N2O3S — CID 106215501

IUPAC5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC2(C(F)(F)F)CC2)o1
InChIInChI=1S/C11H15F3N2O3S/c1-2-15-7-8-3-4-9(19-8)20(17,18)16-10(5-6-10)11(12,13)14/h3-4,15-16H,2,5-7H2,1H3
InChIKeyLRBJUOULUKFIAG-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.76
Rot. Bonds6

About 5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide

5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide (PubChem CID 106215501) has the molecular formula C11H15F3N2O3S and a molecular weight of 312.31 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide
PubChem CID106215501
Molecular FormulaC11H15F3N2O3S
Molecular Weight312.31 g/mol
Exact Mass312.08
IUPAC Name5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC2(C(F)(F)F)CC2)o1
InChIInChI=1S/C11H15F3N2O3S/c1-2-15-7-8-3-4-9(19-8)20(17,18)16-10(5-6-10)11(12,13)14/h3-4,15-16H,2,5-7H2,1H3
InChIKeyLRBJUOULUKFIAG-UHFFFAOYSA-N
XLogP1.76
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-2-sulfonamide
CID 115457142
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433466
5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide
CID 114158691
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
CID 106218661
5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide
CID 79266874
5-(ethylaminomethyl)-N-[(2-methylcyclopentyl)methyl]furan-2-sulfonamide
CID 107421037
5-(ethylaminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]furan-2-sulfonamide
CID 106367875
N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106070960
N-(3-bromo-4-fluorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106078334

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide (CID 106215501) is 5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NC2(C(F)(F)F)CC2)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide?
The InChIKey is LRBJUOULUKFIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S/c1-2-15-7-8-3-4-9(19-8)20(17,18)16-10(5-6-10)11(12,13)14/h3-4,15-16H,2,5-7H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide?
5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide has a molecular weight of 312.31 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]furan-2-sulfonamide is sourced from PubChem (CID 106215501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).