N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide

C23H19F2N3O3S — CID 167624795

IUPACN-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(F)ccc(C(=O)C2=CCc3ncc(-c4ccncc4)cc32)c1F
InChIInChI=1S/C23H19F2N3O3S/c1-2-11-32(30,31)28-22-19(24)5-3-17(21(22)25)23(29)16-4-6-20-18(16)12-15(13-27-20)14-7-9-26-10-8-14/h3-5,7-10,12-13,28H,2,6,11H2,1H3
InChIKeyFNPYJWCRBLEJJA-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.40
Rot. Bonds7

About N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide

N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide (PubChem CID 167624795) has the molecular formula C23H19F2N3O3S and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide
PubChem CID167624795
Molecular FormulaC23H19F2N3O3S
Molecular Weight455.49 g/mol
Exact Mass455.11
IUPAC NameN-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(F)ccc(C(=O)C2=CCc3ncc(-c4ccncc4)cc32)c1F
InChIInChI=1S/C23H19F2N3O3S/c1-2-11-32(30,31)28-22-19(24)5-3-17(21(22)25)23(29)16-4-6-20-18(16)12-15(13-27-20)14-7-9-26-10-8-14/h3-5,7-10,12-13,28H,2,6,11H2,1H3
InChIKeyFNPYJWCRBLEJJA-UHFFFAOYSA-N
XLogP4.40
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide (CID 167624795) is N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1c(F)ccc(C(=O)C2=CCc3ncc(-c4ccncc4)cc32)c1F.
What is the InChIKey of N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide?
The InChIKey is FNPYJWCRBLEJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3S/c1-2-11-32(30,31)28-22-19(24)5-3-17(21(22)25)23(29)16-4-6-20-18(16)12-15(13-27-20)14-7-9-26-10-8-14/h3-5,7-10,12-13,28H,2,6,11H2,1H3.
What are the key properties of N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide?
N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide has a molecular weight of 455.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-difluoro-3-(3-pyridin-4-yl-7H-cyclopenta[b]pyridine-5-carbonyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 167624795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).