(2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide

C23H22FN3O3S — CID 170593273

IUPAC(2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
SMILESC[C@@H]1Cc2cc(F)c(S(N)(=O)=O)cc2N1CC1Cc2cc(-c3ccccn3)ccc2O1
InChIInChI=1S/C23H22FN3O3S/c1-14-8-16-11-19(24)23(31(25,28)29)12-21(16)27(14)13-18-10-17-9-15(5-6-22(17)30-18)20-4-2-3-7-26-20/h2-7,9,11-12,14,18H,8,10,13H2,1H3,(H2,25,28,29)/t14-,18?/m1/s1
InChIKeyHXFPNWYLZGXFAB-IKJXHCRLSA-N
MW439.51 g/mol
LogP3.29
Rot. Bonds4

About (2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide

(2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170593273) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is (2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name(2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID170593273
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC Name(2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
SMILESC[C@@H]1Cc2cc(F)c(S(N)(=O)=O)cc2N1CC1Cc2cc(-c3ccccn3)ccc2O1
InChIInChI=1S/C23H22FN3O3S/c1-14-8-16-11-19(24)23(31(25,28)29)12-21(16)27(14)13-18-10-17-9-15(5-6-22(17)30-18)20-4-2-3-7-26-20/h2-7,9,11-12,14,18H,8,10,13H2,1H3,(H2,25,28,29)/t14-,18?/m1/s1
InChIKeyHXFPNWYLZGXFAB-IKJXHCRLSA-N
XLogP3.29
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of (2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide (CID 170593273) is (2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for (2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for (2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide is C[C@@H]1Cc2cc(F)c(S(N)(=O)=O)cc2N1CC1Cc2cc(-c3ccccn3)ccc2O1.
What is the InChIKey of (2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is HXFPNWYLZGXFAB-IKJXHCRLSA-N. The full InChI is InChI=1S/C23H22FN3O3S/c1-14-8-16-11-19(24)23(31(25,28)29)12-21(16)27(14)13-18-10-17-9-15(5-6-22(17)30-18)20-4-2-3-7-26-20/h2-7,9,11-12,14,18H,8,10,13H2,1H3,(H2,25,28,29)/t14-,18?/m1/s1.
What are the key properties of (2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide?
(2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 439.51 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-fluoro-2-methyl-1-[(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170593273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).