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

C23H20FN3O4S — CID 170335939

IUPAC(2R)-5-fluoro-2-methyl-1-(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
SMILESC[C@@H]1Cc2cc(F)c(S(N)(=O)=O)cc2N1C(=O)C1Cc2cc(-c3ccccn3)ccc2O1
InChIInChI=1S/C23H20FN3O4S/c1-13-8-15-10-17(24)22(32(25,29)30)12-19(15)27(13)23(28)21-11-16-9-14(5-6-20(16)31-21)18-4-2-3-7-26-18/h2-7,9-10,12-13,21H,8,11H2,1H3,(H2,25,29,30)/t13-,21?/m1/s1
InChIKeyAYQUTNPDVYQUGG-ILRUXTBWSA-N
MW453.50 g/mol
LogP2.82
Rot. Bonds3

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

(2R)-5-fluoro-2-methyl-1-(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 170335939) has the molecular formula C23H20FN3O4S and a molecular weight of 453.50 g/mol. Its IUPAC name is (2R)-5-fluoro-2-methyl-1-(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl)-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-carbonyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID170335939
Molecular FormulaC23H20FN3O4S
Molecular Weight453.50 g/mol
Exact Mass453.12
IUPAC Name(2R)-5-fluoro-2-methyl-1-(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
SMILESC[C@@H]1Cc2cc(F)c(S(N)(=O)=O)cc2N1C(=O)C1Cc2cc(-c3ccccn3)ccc2O1
InChIInChI=1S/C23H20FN3O4S/c1-13-8-15-10-17(24)22(32(25,29)30)12-19(15)27(13)23(28)21-11-16-9-14(5-6-20(16)31-21)18-4-2-3-7-26-18/h2-7,9-10,12-13,21H,8,11H2,1H3,(H2,25,29,30)/t13-,21?/m1/s1
InChIKeyAYQUTNPDVYQUGG-ILRUXTBWSA-N
XLogP2.82
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.82
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-carbonyl)-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-carbonyl)-2,3-dihydroindole-6-sulfonamide (CID 170335939) is (2R)-5-fluoro-2-methyl-1-(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl)-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-carbonyl)-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-carbonyl)-2,3-dihydroindole-6-sulfonamide is C[C@@H]1Cc2cc(F)c(S(N)(=O)=O)cc2N1C(=O)C1Cc2cc(-c3ccccn3)ccc2O1.
What is the InChIKey of (2R)-5-fluoro-2-methyl-1-(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is AYQUTNPDVYQUGG-ILRUXTBWSA-N. The full InChI is InChI=1S/C23H20FN3O4S/c1-13-8-15-10-17(24)22(32(25,29)30)12-19(15)27(13)23(28)21-11-16-9-14(5-6-20(16)31-21)18-4-2-3-7-26-18/h2-7,9-10,12-13,21H,8,11H2,1H3,(H2,25,29,30)/t13-,21?/m1/s1.
What are the key properties of (2R)-5-fluoro-2-methyl-1-(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl)-2,3-dihydroindole-6-sulfonamide?
(2R)-5-fluoro-2-methyl-1-(5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 453.50 g/mol, XLogP of 2.82, 3 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-carbonyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170335939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).