5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide

C23H20FN3O3S — CID 170393225

IUPAC5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1F)CCN2C(=O)C1Cc2ccc(-c3ccccn3)cc2C1
InChIInChI=1S/C23H20FN3O3S/c24-19-12-16-6-8-27(21(16)13-22(19)31(25,29)30)23(28)18-9-14-4-5-15(10-17(14)11-18)20-3-1-2-7-26-20/h1-5,7,10,12-13,18H,6,8-9,11H2,(H2,25,29,30)
InChIKeySRJYWLLJJUJDIY-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.84
Rot. Bonds3

About 5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide

5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 170393225) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID170393225
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1F)CCN2C(=O)C1Cc2ccc(-c3ccccn3)cc2C1
InChIInChI=1S/C23H20FN3O3S/c24-19-12-16-6-8-27(21(16)13-22(19)31(25,29)30)23(28)18-9-14-4-5-15(10-17(14)11-18)20-3-1-2-7-26-20/h1-5,7,10,12-13,18H,6,8-9,11H2,(H2,25,29,30)
InChIKeySRJYWLLJJUJDIY-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 5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide (CID 170393225) is 5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1cc2c(cc1F)CCN2C(=O)C1Cc2ccc(-c3ccccn3)cc2C1.
What is the InChIKey of 5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is SRJYWLLJJUJDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c24-19-12-16-6-8-27(21(16)13-22(19)31(25,29)30)23(28)18-9-14-4-5-15(10-17(14)11-18)20-3-1-2-7-26-20/h1-5,7,10,12-13,18H,6,8-9,11H2,(H2,25,29,30).
What are the key properties of 5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide?
5-fluoro-1-(5-pyridin-2-yl-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 5-fluoro-1-(5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170393225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).