N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C14H14F3NO3S — CID 71798515

IUPACN-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCc1ccoc1
InChIInChI=1S/C14H14F3NO3S/c15-14(16,17)13-3-1-12(2-4-13)10-22(19,20)18-7-5-11-6-8-21-9-11/h1-4,6,8-9,18H,5,7,10H2
InChIKeyAWDKJYXRACKBJL-UHFFFAOYSA-N
MW333.33 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71798515) has the molecular formula C14H14F3NO3S and a molecular weight of 333.33 g/mol. Its IUPAC name is N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71798515
Molecular FormulaC14H14F3NO3S
Molecular Weight333.33 g/mol
Exact Mass333.06
IUPAC NameN-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCc1ccoc1
InChIInChI=1S/C14H14F3NO3S/c15-14(16,17)13-3-1-12(2-4-13)10-22(19,20)18-7-5-11-6-8-21-9-11/h1-4,6,8-9,18H,5,7,10H2
InChIKeyAWDKJYXRACKBJL-UHFFFAOYSA-N
XLogP2.96
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-3-yl)ethyl]-1-phenylmethanesulfonamide
CID 90558389
N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 68662627
N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 167065322
N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90558521
1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene
CID 35302797
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796438
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90588192
N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide
CID 46450491
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121139444
N-(3-hydroxy-3-thiophen-3-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121132253
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124892290
N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 86266238

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 71798515) is N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCc1ccoc1.
What is the InChIKey of N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is AWDKJYXRACKBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3S/c15-14(16,17)13-3-1-12(2-4-13)10-22(19,20)18-7-5-11-6-8-21-9-11/h1-4,6,8-9,18H,5,7,10H2.
What are the key properties of N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 333.33 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71798515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).