N-[(2S)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

C18H19F3N2O3S — CID 70222647

IUPACN-[(2S)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(Oc3ccnc(C(F)(F)F)c3)cc2C1
InChIInChI=1S/C18H19F3N2O3S/c1-11(2)27(24,25)23-14-7-12-3-4-15(9-13(12)8-14)26-16-5-6-22-17(10-16)18(19,20)21/h3-6,9-11,14,23H,7-8H2,1-2H3/t14-/m0/s1
InChIKeyTULGMSLFNVABKF-AWEZNQCLSA-N
MW400.42 g/mol
LogP3.69
Rot. Bonds5

About N-[(2S)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

N-[(2S)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 70222647) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[(2S)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID70222647
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC NameN-[(2S)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1Cc2ccc(Oc3ccnc(C(F)(F)F)c3)cc2C1
InChIInChI=1S/C18H19F3N2O3S/c1-11(2)27(24,25)23-14-7-12-3-4-15(9-13(12)8-14)26-16-5-6-22-17(10-16)18(19,20)21/h3-6,9-11,14,23H,7-8H2,1-2H3/t14-/m0/s1
InChIKeyTULGMSLFNVABKF-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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[(2S)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 70222647) is N-[(2S)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Oc3ccnc(C(F)(F)F)c3)cc2C1.
What is the InChIKey of N-[(2S)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is TULGMSLFNVABKF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-11(2)27(24,25)23-14-7-12-3-4-15(9-13(12)8-14)26-16-5-6-22-17(10-16)18(19,20)21/h3-6,9-11,14,23H,7-8H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(2S)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[(2S)-5-[[2-(trifluoromethyl)-4-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-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 70222647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).