(6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide

C17H17F6N3O5S — CID 177334266

IUPAC(6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide
SMILES[2H]C([2H])([2H])O[C@@]1(C(F)(F)F)CCc2c(S(=O)(=O)Nc3cc(F)c(OC(F)F)nc3OC)c[nH]c2C1
InChIInChI=1S/C17H17F6N3O5S/c1-29-14-10(5-9(18)13(25-14)31-15(19)20)26-32(27,28)12-7-24-11-6-16(30-2,17(21,22)23)4-3-8(11)12/h5,7,15,24,26H,3-4,6H2,1-2H3/t16-/m0/s1/i2D3
InChIKeyJZNQWWVGDBPJRP-FOYLMILLSA-N
MW492.41 g/mol
LogP3.40
Rot. Bonds8

About (6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide

(6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide (PubChem CID 177334266) has the molecular formula C17H17F6N3O5S and a molecular weight of 492.41 g/mol. Its IUPAC name is (6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide.

Molecular Properties

Compound Name(6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide
PubChem CID177334266
Molecular FormulaC17H17F6N3O5S
Molecular Weight492.41 g/mol
Exact Mass492.10
IUPAC Name(6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide
SMILES[2H]C([2H])([2H])O[C@@]1(C(F)(F)F)CCc2c(S(=O)(=O)Nc3cc(F)c(OC(F)F)nc3OC)c[nH]c2C1
InChIInChI=1S/C17H17F6N3O5S/c1-29-14-10(5-9(18)13(25-14)31-15(19)20)26-32(27,28)12-7-24-11-6-16(30-2,17(21,22)23)4-3-8(11)12/h5,7,15,24,26H,3-4,6H2,1-2H3/t16-/m0/s1/i2D3
InChIKeyJZNQWWVGDBPJRP-FOYLMILLSA-N
XLogP3.40
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide?
The IUPAC name of (6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide (CID 177334266) is (6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide.
What is the SMILES notation for (6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide?
The canonical SMILES for (6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide is [2H]C([2H])([2H])O[C@@]1(C(F)(F)F)CCc2c(S(=O)(=O)Nc3cc(F)c(OC(F)F)nc3OC)c[nH]c2C1.
What is the InChIKey of (6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide?
The InChIKey is JZNQWWVGDBPJRP-FOYLMILLSA-N. The full InChI is InChI=1S/C17H17F6N3O5S/c1-29-14-10(5-9(18)13(25-14)31-15(19)20)26-32(27,28)12-7-24-11-6-16(30-2,17(21,22)23)4-3-8(11)12/h5,7,15,24,26H,3-4,6H2,1-2H3/t16-/m0/s1/i2D3.
What are the key properties of (6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide?
(6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide has a molecular weight of 492.41 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide is sourced from PubChem (CID 177334266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).