N-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

C18H19F3N2O3S — CID 46935656

IUPACN-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(Oc3cccc(C(F)(F)F)n3)cc2C1
InChIInChI=1S/C18H19F3N2O3S/c1-11(2)27(24,25)23-14-8-12-6-7-15(10-13(12)9-14)26-17-5-3-4-16(22-17)18(19,20)21/h3-7,10-11,14,23H,8-9H2,1-2H3/t14-/m0/s1
InChIKeyDHCGNWSTALYEON-AWEZNQCLSA-N
MW400.42 g/mol
LogP3.69
Rot. Bonds5

About N-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

N-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 46935656) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID46935656
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC NameN-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(Oc3cccc(C(F)(F)F)n3)cc2C1
InChIInChI=1S/C18H19F3N2O3S/c1-11(2)27(24,25)23-14-8-12-6-7-15(10-13(12)9-14)26-17-5-3-4-16(22-17)18(19,20)21/h3-7,10-11,14,23H,8-9H2,1-2H3/t14-/m0/s1
InChIKeyDHCGNWSTALYEON-AWEZNQCLSA-N
XLogP3.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methyl]methanesulfonamide
CID 166628108
N-{(2S)-5-[(5-fluoro-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl}-2-propanesulfonamide
CID 44124721
N-[5-[6-(trifluoromethyl)pyridin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
CID 46917029
N-[5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 68155839
N-[(2R)-5-[6-(trifluoromethyl)pyridin-2-yl]oxy-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 68156493
N-[5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 68156497
N-[5-[2-(trifluoromethyl)pyridin-4-yl]oxy-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
CID 68156578
N-[4',6-dimethoxy-1-[6-(trifluoromethyl)pyridin-2-yl]spiro[3H-indene-2,1'-cyclohexane]-1-yl]-2-methylpropane-2-sulfinamide
CID 68239510
N-[(2S)-5-[2-(trifluoromethyl)pyridin-4-yl]oxy-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 70222647
4-[[3-[[6-Methyl-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexanamine
CID 89463081
4-[[3-[[6-Ethyl-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]-methylene]cyclohexanamine
CID 89464003
[6-[6-(Trifluoromethyl)pyridin-2-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 90242517

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 46935656) is N-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Oc3cccc(C(F)(F)F)n3)cc2C1.
What is the InChIKey of N-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is DHCGNWSTALYEON-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-11(2)27(24,25)23-14-8-12-6-7-15(10-13(12)9-14)26-17-5-3-4-16(22-17)18(19,20)21/h3-7,10-11,14,23H,8-9H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 400.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 46935656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).