6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C22H15F4N5O2S — CID 66734918

IUPAC6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)cnc3n2-c2ccccc2)nc1)C(F)(F)F
InChIInChI=1S/C22H15F4N5O2S/c1-13(22(24,25)26)30-34(32,33)16-7-8-19(28-12-16)20-18(10-27)17-9-14(23)11-29-21(17)31(20)15-5-3-2-4-6-15/h2-9,11-13,30H,1H3/t13-/m0/s1
InChIKeyACNDUIFYRLORAJ-ZDUSSCGKSA-N
MW489.45 g/mol
LogP4.33
Rot. Bonds5

About 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66734918) has the molecular formula C22H15F4N5O2S and a molecular weight of 489.45 g/mol. Its IUPAC name is 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66734918
Molecular FormulaC22H15F4N5O2S
Molecular Weight489.45 g/mol
Exact Mass489.09
IUPAC Name6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)cnc3n2-c2ccccc2)nc1)C(F)(F)F
InChIInChI=1S/C22H15F4N5O2S/c1-13(22(24,25)26)30-34(32,33)16-7-8-19(28-12-16)20-18(10-27)17-9-14(23)11-29-21(17)31(20)15-5-3-2-4-6-15/h2-9,11-13,30H,1H3/t13-/m0/s1
InChIKeyACNDUIFYRLORAJ-ZDUSSCGKSA-N
XLogP4.33
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66734918) is 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)cnc3n2-c2ccccc2)nc1)C(F)(F)F.
What is the InChIKey of 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is ACNDUIFYRLORAJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H15F4N5O2S/c1-13(22(24,25)26)30-34(32,33)16-7-8-19(28-12-16)20-18(10-27)17-9-14(23)11-29-21(17)31(20)15-5-3-2-4-6-15/h2-9,11-13,30H,1H3/t13-/m0/s1.
What are the key properties of 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 489.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-5-fluoro-1-phenylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66734918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).