N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

C13H13F3N2O3S — CID 75476531

IUPACN-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCN(Cc1ccoc1)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H13F3N2O3S/c1-2-18(8-10-5-6-21-9-10)22(19,20)11-3-4-12(17-7-11)13(14,15)16/h3-7,9H,2,8H2,1H3
InChIKeyDDGGUHCRJXIHSC-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.90
Rot. Bonds5

About N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 75476531) has the molecular formula C13H13F3N2O3S and a molecular weight of 334.32 g/mol. Its IUPAC name is N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID75476531
Molecular FormulaC13H13F3N2O3S
Molecular Weight334.32 g/mol
Exact Mass334.06
IUPAC NameN-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCN(Cc1ccoc1)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H13F3N2O3S/c1-2-18(8-10-5-6-21-9-10)22(19,20)11-3-4-12(17-7-11)13(14,15)16/h3-7,9H,2,8H2,1H3
InChIKeyDDGGUHCRJXIHSC-UHFFFAOYSA-N
XLogP2.90
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
CID 71914118
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 47400652
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide
CID 90582820
N-methyl-N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453649
2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133275421
N,N-diethyl-4-trimethylsilylbenzenesulfonamide
CID 11254658
5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614340
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 90582794
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)propane-1-sulfonamide
CID 90582754
4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 170459200
N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 75476531) is N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is CCN(Cc1ccoc1)S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is DDGGUHCRJXIHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3S/c1-2-18(8-10-5-6-21-9-10)22(19,20)11-3-4-12(17-7-11)13(14,15)16/h3-7,9H,2,8H2,1H3.
What are the key properties of N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 334.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 75476531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).