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

C18H14N4O2S — CID 134812697

IUPAC4-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)cc1
InChIInChI=1S/C18H14N4O2S/c19-25(23,24)15-5-3-12(4-6-15)14-8-16-17(11-22-18(16)21-10-14)13-2-1-7-20-9-13/h1-11H,(H,21,22)(H2,19,23,24)
InChIKeyGUBNPZDHUYZSLK-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.94
Rot. Bonds3

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

4-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide (PubChem CID 134812697) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
PubChem CID134812697
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name4-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)cc1
InChIInChI=1S/C18H14N4O2S/c19-25(23,24)15-5-3-12(4-6-15)14-8-16-17(11-22-18(16)21-10-14)13-2-1-7-20-9-13/h1-11H,(H,21,22)(H2,19,23,24)
InChIKeyGUBNPZDHUYZSLK-UHFFFAOYSA-N
XLogP2.94
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide?
The IUPAC name of 4-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide (CID 134812697) is 4-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)cc1.
What is the InChIKey of 4-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide?
The InChIKey is GUBNPZDHUYZSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c19-25(23,24)15-5-3-12(4-6-15)14-8-16-17(11-22-18(16)21-10-14)13-2-1-7-20-9-13/h1-11H,(H,21,22)(H2,19,23,24).
What are the key properties of 4-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide?
4-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134812697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).