(2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

C24H21F2N3O3S — CID 170335897

IUPAC(2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1F)C[C@@H](CF)N2C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2C1
InChIInChI=1S/C24H21F2N3O3S/c25-13-19-10-17-11-20(26)23(33(27,31)32)12-22(17)29(19)24(30)18-7-14-4-5-15(8-16(14)9-18)21-3-1-2-6-28-21/h1-6,8,11-12,18-19H,7,9-10,13H2,(H2,27,31,32)/t18-,19+/m1/s1
InChIKeyOEUDWBIISGZVKC-MOPGFXCFSA-N
MW469.51 g/mol
LogP3.18
Rot. Bonds4

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

(2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170335897) has the molecular formula C24H21F2N3O3S and a molecular weight of 469.51 g/mol. Its IUPAC name is (2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name(2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID170335897
Molecular FormulaC24H21F2N3O3S
Molecular Weight469.51 g/mol
Exact Mass469.13
IUPAC Name(2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1F)C[C@@H](CF)N2C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2C1
InChIInChI=1S/C24H21F2N3O3S/c25-13-19-10-17-11-20(26)23(33(27,31)32)12-22(17)29(19)24(30)18-7-14-4-5-15(8-16(14)9-18)21-3-1-2-6-28-21/h1-6,8,11-12,18-19H,7,9-10,13H2,(H2,27,31,32)/t18-,19+/m1/s1
InChIKeyOEUDWBIISGZVKC-MOPGFXCFSA-N
XLogP3.18
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of (2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 170335897) is (2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for (2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for (2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1cc2c(cc1F)C[C@@H](CF)N2C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2C1.
What is the InChIKey of (2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is OEUDWBIISGZVKC-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H21F2N3O3S/c25-13-19-10-17-11-20(26)23(33(27,31)32)12-22(17)29(19)24(30)18-7-14-4-5-15(8-16(14)9-18)21-3-1-2-6-28-21/h1-6,8,11-12,18-19H,7,9-10,13H2,(H2,27,31,32)/t18-,19+/m1/s1.
What are the key properties of (2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
(2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 469.51 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-fluoro-2-(fluoromethyl)-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170335897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).