1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

C23H20FN3O3S — CID 170393332

IUPAC1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1Cc3ccc(-c4cccc(F)n4)cc3C1)CC2
InChIInChI=1S/C23H20FN3O3S/c24-22-3-1-2-20(26-22)16-5-4-15-10-18(12-17(15)11-16)23(28)27-9-8-14-6-7-19(13-21(14)27)31(25,29)30/h1-7,11,13,18H,8-10,12H2,(H2,25,29,30)
InChIKeyKMTKGHVVSGLBIW-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.84
Rot. Bonds3

About 1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170393332) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID170393332
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1Cc3ccc(-c4cccc(F)n4)cc3C1)CC2
InChIInChI=1S/C23H20FN3O3S/c24-22-3-1-2-20(26-22)16-5-4-15-10-18(12-17(15)11-16)23(28)27-9-8-14-6-7-19(13-21(14)27)31(25,29)30/h1-7,11,13,18H,8-10,12H2,(H2,25,29,30)
InChIKeyKMTKGHVVSGLBIW-UHFFFAOYSA-N
XLogP2.84
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide with MolForge

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Related Compounds

N-[5-(1-cyclopentanecarbonyl-1H-indol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 25190837
N-[5-(1-hexanoyl-1H-indol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 25190838
1-[(2R)-5-(2,5-difluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-5-fluoro-2,3-dihydroindole-6-sulfonamide
CID 170335972
5-fluoro-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
CID 170393678
[5-fluoro-6-(methylsulfonimidoyl)-2,3-dihydroindol-1-yl]-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-inden-2-yl]methanone
CID 170393799
US12522582, Example 125
CID 170335897
US12522582, Example 126
CID 170335919
US12522582, Example 70
CID 170335920
US12522582, Example 76
CID 170335925
US12522582, Example 127
CID 170335960
US12522582, Example 97
CID 170335961
US12522582, Example 128
CID 170335979

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 170393332) is 1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1Cc3ccc(-c4cccc(F)n4)cc3C1)CC2.
What is the InChIKey of 1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is KMTKGHVVSGLBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c24-22-3-1-2-20(26-22)16-5-4-15-10-18(12-17(15)11-16)23(28)27-9-8-14-6-7-19(13-21(14)27)31(25,29)30/h1-7,11,13,18H,8-10,12H2,(H2,25,29,30).
What are the key properties of 1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 437.50 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170393332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).