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

C24H22FN3O3S — CID 170393567

IUPAC(2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESC[C@@H]1Cc2cc(F)c(S(N)(=O)=O)cc2N1C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2C1
InChIInChI=1S/C24H22FN3O3S/c1-14-8-18-12-20(25)23(32(26,30)31)13-22(18)28(14)24(29)19-9-15-5-6-16(10-17(15)11-19)21-4-2-3-7-27-21/h2-7,10,12-14,19H,8-9,11H2,1H3,(H2,26,30,31)/t14-,19-/m1/s1
InChIKeySJPVJEFFYZMIJH-AUUYWEPGSA-N
MW451.52 g/mol
LogP3.23
Rot. Bonds3

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

(2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170393567) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is (2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name(2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID170393567
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC Name(2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESC[C@@H]1Cc2cc(F)c(S(N)(=O)=O)cc2N1C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2C1
InChIInChI=1S/C24H22FN3O3S/c1-14-8-18-12-20(25)23(32(26,30)31)13-22(18)28(14)24(29)19-9-15-5-6-16(10-17(15)11-19)21-4-2-3-7-27-21/h2-7,10,12-14,19H,8-9,11H2,1H3,(H2,26,30,31)/t14-,19-/m1/s1
InChIKeySJPVJEFFYZMIJH-AUUYWEPGSA-N
XLogP3.23
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-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 (2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of (2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 170393567) is (2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for (2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for (2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is C[C@@H]1Cc2cc(F)c(S(N)(=O)=O)cc2N1C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2C1.
What is the InChIKey of (2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is SJPVJEFFYZMIJH-AUUYWEPGSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c1-14-8-18-12-20(25)23(32(26,30)31)13-22(18)28(14)24(29)19-9-15-5-6-16(10-17(15)11-19)21-4-2-3-7-27-21/h2-7,10,12-14,19H,8-9,11H2,1H3,(H2,26,30,31)/t14-,19-/m1/s1.
What are the key properties of (2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
(2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 451.52 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-fluoro-2-methyl-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170393567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).