2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide

C13H10FN3O3S — CID 162476581

IUPAC2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2cnc3[nH]ccc3c2)cc1F
InChIInChI=1S/C13H10FN3O3S/c14-11-6-9(1-2-12(11)21(15,18)19)20-10-5-8-3-4-16-13(8)17-7-10/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyOTTXCNUWHNDOKB-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.14
Rot. Bonds3

About 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide

2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide (PubChem CID 162476581) has the molecular formula C13H10FN3O3S and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide
PubChem CID162476581
Molecular FormulaC13H10FN3O3S
Molecular Weight307.31 g/mol
Exact Mass307.04
IUPAC Name2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2cnc3[nH]ccc3c2)cc1F
InChIInChI=1S/C13H10FN3O3S/c14-11-6-9(1-2-12(11)21(15,18)19)20-10-5-8-3-4-16-13(8)17-7-10/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyOTTXCNUWHNDOKB-UHFFFAOYSA-N
XLogP2.14
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide (CID 162476581) is 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide is NS(=O)(=O)c1ccc(Oc2cnc3[nH]ccc3c2)cc1F.
What is the InChIKey of 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide?
The InChIKey is OTTXCNUWHNDOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3S/c14-11-6-9(1-2-12(11)21(15,18)19)20-10-5-8-3-4-16-13(8)17-7-10/h1-7H,(H,16,17)(H2,15,18,19).
What are the key properties of 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide?
2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide has a molecular weight of 307.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzenesulfonamide is sourced from PubChem (CID 162476581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).