N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide

C14H13FN4O2S — CID 175807758

IUPACN-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2ccnc3[nH]ccc23)nc1F
InChIInChI=1S/C14H13FN4O2S/c1-2-22(20,21)19-12-4-3-11(18-13(12)15)9-5-7-16-14-10(9)6-8-17-14/h3-8,19H,2H2,1H3,(H,16,17)
InChIKeyVTWYSFIXEYOBMH-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.53
Rot. Bonds4

About N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide

N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide (PubChem CID 175807758) has the molecular formula C14H13FN4O2S and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide
PubChem CID175807758
Molecular FormulaC14H13FN4O2S
Molecular Weight320.35 g/mol
Exact Mass320.07
IUPAC NameN-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2ccnc3[nH]ccc23)nc1F
InChIInChI=1S/C14H13FN4O2S/c1-2-22(20,21)19-12-4-3-11(18-13(12)15)9-5-7-16-14-10(9)6-8-17-14/h3-8,19H,2H2,1H3,(H,16,17)
InChIKeyVTWYSFIXEYOBMH-UHFFFAOYSA-N
XLogP2.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide (CID 175807758) is N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2ccnc3[nH]ccc23)nc1F.
What is the InChIKey of N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide?
The InChIKey is VTWYSFIXEYOBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2S/c1-2-22(20,21)19-12-4-3-11(18-13(12)15)9-5-7-16-14-10(9)6-8-17-14/h3-8,19H,2H2,1H3,(H,16,17).
What are the key properties of N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide?
N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide has a molecular weight of 320.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 175807758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).