N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide

C16H17F3N2O3S — CID 42595685

IUPACN-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O3S/c1-2-9-25(22,23)21-11-12-5-4-8-20-15(12)24-14-7-3-6-13(10-14)16(17,18)19/h3-8,10,21H,2,9,11H2,1H3
InChIKeyMAJMMADXQJJKCM-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.72
Rot. Bonds7

About N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide

N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide (PubChem CID 42595685) has the molecular formula C16H17F3N2O3S and a molecular weight of 374.38 g/mol. Its IUPAC name is N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide
PubChem CID42595685
Molecular FormulaC16H17F3N2O3S
Molecular Weight374.38 g/mol
Exact Mass374.09
IUPAC NameN-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O3S/c1-2-9-25(22,23)21-11-12-5-4-8-20-15(12)24-14-7-3-6-13(10-14)16(17,18)19/h3-8,10,21H,2,9,11H2,1H3
InChIKeyMAJMMADXQJJKCM-UHFFFAOYSA-N
XLogP3.72
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503
3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 56752710
N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 42595092
3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56738760
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide
CID 39660247
2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56741357
N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 42528467
1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 56748506
3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660078
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide (CID 42595685) is N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide?
The InChIKey is MAJMMADXQJJKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3S/c1-2-9-25(22,23)21-11-12-5-4-8-20-15(12)24-14-7-3-6-13(10-14)16(17,18)19/h3-8,10,21H,2,9,11H2,1H3.
What are the key properties of N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide?
N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide has a molecular weight of 374.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 42595685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).