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

C23H20FN3O3S — CID 170335925

IUPAC1-[5-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1Cc3ccc(-c4ncccc4F)cc3C1)CC2
InChIInChI=1S/C23H20FN3O3S/c24-20-2-1-8-26-22(20)16-4-3-15-10-18(12-17(15)11-16)23(28)27-9-7-14-5-6-19(13-21(14)27)31(25,29)30/h1-6,8,11,13,18H,7,9-10,12H2,(H2,25,29,30)
InChIKeyZUYWVXVPFMFBEG-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.84
Rot. Bonds3

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

1-[5-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170335925) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[5-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[5-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID170335925
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name1-[5-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1Cc3ccc(-c4ncccc4F)cc3C1)CC2
InChIInChI=1S/C23H20FN3O3S/c24-20-2-1-8-26-22(20)16-4-3-15-10-18(12-17(15)11-16)23(28)27-9-7-14-5-6-19(13-21(14)27)31(25,29)30/h1-6,8,11,13,18H,7,9-10,12H2,(H2,25,29,30)
InChIKeyZUYWVXVPFMFBEG-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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[5-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 170335925) is 1-[5-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[5-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[5-(3-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(-c4ncccc4F)cc3C1)CC2.
What is the InChIKey of 1-[5-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is ZUYWVXVPFMFBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c24-20-2-1-8-26-22(20)16-4-3-15-10-18(12-17(15)11-16)23(28)27-9-7-14-5-6-19(13-21(14)27)31(25,29)30/h1-6,8,11,13,18H,7,9-10,12H2,(H2,25,29,30).
What are the key properties of 1-[5-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
1-[5-(3-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-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170335925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).