N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide

C21H21F3N4O3S — CID 60502755

IUPACN-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc(OCC(F)(F)F)nc2)nc1
InChIInChI=1S/C21H21F3N4O3S/c1-2-28(17-6-4-3-5-7-17)32(29,30)18-9-10-19(26-14-18)25-12-16-8-11-20(27-13-16)31-15-21(22,23)24/h3-11,13-14H,2,12,15H2,1H3,(H,25,26)
InChIKeyCKRQUSVRJJQHKM-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.24
Rot. Bonds9

About N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide

N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide (PubChem CID 60502755) has the molecular formula C21H21F3N4O3S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide
PubChem CID60502755
Molecular FormulaC21H21F3N4O3S
Molecular Weight466.49 g/mol
Exact Mass466.13
IUPAC NameN-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc(OCC(F)(F)F)nc2)nc1
InChIInChI=1S/C21H21F3N4O3S/c1-2-28(17-6-4-3-5-7-17)32(29,30)18-9-10-19(26-14-18)25-12-16-8-11-20(27-13-16)31-15-21(22,23)24/h3-11,13-14H,2,12,15H2,1H3,(H,25,26)
InChIKeyCKRQUSVRJJQHKM-UHFFFAOYSA-N
XLogP4.24
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 55828070
N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide
CID 112798825
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
CID 9111880
N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide
CID 9281334
N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide
CID 112840794
6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 56815275
N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
CID 60570329
6-[2-(1,3-benzodioxol-5-yl)ethylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 17490524
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide (CID 60502755) is N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc(OCC(F)(F)F)nc2)nc1.
What is the InChIKey of N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide?
The InChIKey is CKRQUSVRJJQHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3S/c1-2-28(17-6-4-3-5-7-17)32(29,30)18-9-10-19(26-14-18)25-12-16-8-11-20(27-13-16)31-15-21(22,23)24/h3-11,13-14H,2,12,15H2,1H3,(H,25,26).
What are the key properties of N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide?
N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide has a molecular weight of 466.49 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 60502755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).