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

C24H22FN3O3S — CID 170335961

IUPAC5-fluoro-1-[(1R,2R)-1-methyl-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESC[C@H]1c2ccc(-c3ccccn3)cc2C[C@H]1C(=O)N1CCc2cc(F)c(S(N)(=O)=O)cc21
InChIInChI=1S/C24H22FN3O3S/c1-14-18-6-5-15(21-4-2-3-8-27-21)10-17(18)11-19(14)24(29)28-9-7-16-12-20(25)23(13-22(16)28)32(26,30)31/h2-6,8,10,12-14,19H,7,9,11H2,1H3,(H2,26,30,31)/t14-,19+/m0/s1
InChIKeyOFKJWFRMBKJYBM-IFXJQAMLSA-N
MW451.52 g/mol
LogP3.40
Rot. Bonds3

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

5-fluoro-1-[(1R,2R)-1-methyl-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170335961) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is 5-fluoro-1-[(1R,2R)-1-methyl-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name5-fluoro-1-[(1R,2R)-1-methyl-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID170335961
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC Name5-fluoro-1-[(1R,2R)-1-methyl-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESC[C@H]1c2ccc(-c3ccccn3)cc2C[C@H]1C(=O)N1CCc2cc(F)c(S(N)(=O)=O)cc21
InChIInChI=1S/C24H22FN3O3S/c1-14-18-6-5-15(21-4-2-3-8-27-21)10-17(18)11-19(14)24(29)28-9-7-16-12-20(25)23(13-22(16)28)32(26,30)31/h2-6,8,10,12-14,19H,7,9,11H2,1H3,(H2,26,30,31)/t14-,19+/m0/s1
InChIKeyOFKJWFRMBKJYBM-IFXJQAMLSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(1R,2R)-1-methyl-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 5-fluoro-1-[(1R,2R)-1-methyl-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 170335961) is 5-fluoro-1-[(1R,2R)-1-methyl-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-[(1R,2R)-1-methyl-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 5-fluoro-1-[(1R,2R)-1-methyl-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is C[C@H]1c2ccc(-c3ccccn3)cc2C[C@H]1C(=O)N1CCc2cc(F)c(S(N)(=O)=O)cc21.
What is the InChIKey of 5-fluoro-1-[(1R,2R)-1-methyl-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is OFKJWFRMBKJYBM-IFXJQAMLSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c1-14-18-6-5-15(21-4-2-3-8-27-21)10-17(18)11-19(14)24(29)28-9-7-16-12-20(25)23(13-22(16)28)32(26,30)31/h2-6,8,10,12-14,19H,7,9,11H2,1H3,(H2,26,30,31)/t14-,19+/m0/s1.
What are the key properties of 5-fluoro-1-[(1R,2R)-1-methyl-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?
5-fluoro-1-[(1R,2R)-1-methyl-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 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(1R,2R)-1-methyl-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170335961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).