N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C9H12F3NO3S — CID 64585550

IUPACN-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C9H12F3NO3S/c1-2-17(14,15)13(7-9(10,11)12)6-8-4-3-5-16-8/h3-5H,2,6-7H2,1H3
InChIKeyUINJIBFHSYTKLE-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.99
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 64585550) has the molecular formula C9H12F3NO3S and a molecular weight of 271.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID64585550
Molecular FormulaC9H12F3NO3S
Molecular Weight271.26 g/mol
Exact Mass271.05
IUPAC NameN-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C9H12F3NO3S/c1-2-17(14,15)13(7-9(10,11)12)6-8-4-3-5-16-8/h3-5H,2,6-7H2,1H3
InChIKeyUINJIBFHSYTKLE-UHFFFAOYSA-N
XLogP1.99
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 64585549
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
3-chloro-N-ethyl-N-(furan-2-ylmethyl)propane-1-sulfonamide
CID 60958479
N-ethyl-2-(ethylamino)-N-(furan-2-ylmethyl)ethanesulfonamide
CID 54972545
3-[butylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82326435
2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712
2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 79793559
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
CID 55627832
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 62022626
N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 167880591

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 64585550) is N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCS(=O)(=O)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is UINJIBFHSYTKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3S/c1-2-17(14,15)13(7-9(10,11)12)6-8-4-3-5-16-8/h3-5H,2,6-7H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 271.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 64585550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).