(6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide

C17H15F7N2O4S — CID 177334423

IUPAC(6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-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)cc3F)c[nH]c2C1
InChIInChI=1S/C17H15F7N2O4S/c1-29-16(17(22,23)24)3-2-8-12(6-16)25-7-14(8)31(27,28)26-11-4-10(19)13(5-9(11)18)30-15(20)21/h4-5,7,15,25-26H,2-3,6H2,1H3/t16-/m1/s1/i1D3
InChIKeyXUHINNSFDUSFAQ-JOTALGBPSA-N
MW479.39 g/mol
LogP4.13
Rot. Bonds7

About (6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide

(6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide (PubChem CID 177334423) has the molecular formula C17H15F7N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is (6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide.

Molecular Properties

Compound Name(6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide
PubChem CID177334423
Molecular FormulaC17H15F7N2O4S
Molecular Weight479.39 g/mol
Exact Mass479.08
IUPAC Name(6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-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)cc3F)c[nH]c2C1
InChIInChI=1S/C17H15F7N2O4S/c1-29-16(17(22,23)24)3-2-8-12(6-16)25-7-14(8)31(27,28)26-11-4-10(19)13(5-9(11)18)30-15(20)21/h4-5,7,15,25-26H,2-3,6H2,1H3/t16-/m1/s1/i1D3
InChIKeyXUHINNSFDUSFAQ-JOTALGBPSA-N
XLogP4.13
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide?
The IUPAC name of (6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide (CID 177334423) is (6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide.
What is the SMILES notation for (6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide?
The canonical SMILES for (6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-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)cc3F)c[nH]c2C1.
What is the InChIKey of (6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide?
The InChIKey is XUHINNSFDUSFAQ-JOTALGBPSA-N. The full InChI is InChI=1S/C17H15F7N2O4S/c1-29-16(17(22,23)24)3-2-8-12(6-16)25-7-14(8)31(27,28)26-11-4-10(19)13(5-9(11)18)30-15(20)21/h4-5,7,15,25-26H,2-3,6H2,1H3/t16-/m1/s1/i1D3.
What are the key properties of (6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide?
(6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide has a molecular weight of 479.39 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide is sourced from PubChem (CID 177334423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).