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

C22H18FN3O4S — CID 170335890

IUPAC5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1F)CCN2C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2O1
InChIInChI=1S/C22H18FN3O4S/c23-16-9-14-6-8-26(18(14)12-21(16)31(24,28)29)22(27)20-11-15-5-4-13(10-19(15)30-20)17-3-1-2-7-25-17/h1-5,7,9-10,12,20H,6,8,11H2,(H2,24,28,29)/t20-/m0/s1
InChIKeyQAHOSKVVDUFZEL-FQEVSTJZSA-N
MW439.47 g/mol
LogP2.43
Rot. Bonds3

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

5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170335890) has the molecular formula C22H18FN3O4S and a molecular weight of 439.47 g/mol. Its IUPAC name is 5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID170335890
Molecular FormulaC22H18FN3O4S
Molecular Weight439.47 g/mol
Exact Mass439.10
IUPAC Name5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1F)CCN2C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2O1
InChIInChI=1S/C22H18FN3O4S/c23-16-9-14-6-8-26(18(14)12-21(16)31(24,28)29)22(27)20-11-15-5-4-13(10-19(15)30-20)17-3-1-2-7-25-17/h1-5,7,9-10,12,20H,6,8,11H2,(H2,24,28,29)/t20-/m0/s1
InChIKeyQAHOSKVVDUFZEL-FQEVSTJZSA-N
XLogP2.43
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-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 5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 170335890) is 5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1cc2c(cc1F)CCN2C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2O1.
What is the InChIKey of 5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is QAHOSKVVDUFZEL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H18FN3O4S/c23-16-9-14-6-8-26(18(14)12-21(16)31(24,28)29)22(27)20-11-15-5-4-13(10-19(15)30-20)17-3-1-2-7-25-17/h1-5,7,9-10,12,20H,6,8,11H2,(H2,24,28,29)/t20-/m0/s1.
What are the key properties of 5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 439.47 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2S)-6-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170335890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).