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

C18H14N4O2S — CID 52936736

IUPACN-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2cnc3[nH]ccc3c2)c1)c1ccccc1
InChIInChI=1S/C18H14N4O2S/c23-25(24,17-4-2-1-3-5-17)22-16-9-15(10-19-12-16)14-8-13-6-7-20-18(13)21-11-14/h1-12,22H,(H,20,21)
InChIKeyYXJNCMWPTDBNPS-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.43
Rot. Bonds4

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

N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 52936736) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID52936736
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2cnc3[nH]ccc3c2)c1)c1ccccc1
InChIInChI=1S/C18H14N4O2S/c23-25(24,17-4-2-1-3-5-17)22-16-9-15(10-19-12-16)14-8-13-6-7-20-18(13)21-11-14/h1-12,22H,(H,20,21)
InChIKeyYXJNCMWPTDBNPS-UHFFFAOYSA-N
XLogP3.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (CID 52936736) is N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2cnc3[nH]ccc3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is YXJNCMWPTDBNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-25(24,17-4-2-1-3-5-17)22-16-9-15(10-19-12-16)14-8-13-6-7-20-18(13)21-11-14/h1-12,22H,(H,20,21).
What are the key properties of N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 52936736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).