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

C25H17N5O2S — CID 50925577

IUPACN-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cccc(-c2c[nH]c3ncc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc23)c1
InChIInChI=1S/C25H17N5O2S/c26-12-17-5-4-6-18(9-17)24-16-29-25-23(24)11-20(14-28-25)19-10-21(15-27-13-19)30-33(31,32)22-7-2-1-3-8-22/h1-11,13-16,30H,(H,28,29)
InChIKeyXGGVVWAAMVIBHH-UHFFFAOYSA-N
MW451.51 g/mol
LogP4.96
Rot. Bonds5

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

N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 50925577) has the molecular formula C25H17N5O2S and a molecular weight of 451.51 g/mol. Its IUPAC name is N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID50925577
Molecular FormulaC25H17N5O2S
Molecular Weight451.51 g/mol
Exact Mass451.11
IUPAC NameN-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cccc(-c2c[nH]c3ncc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc23)c1
InChIInChI=1S/C25H17N5O2S/c26-12-17-5-4-6-18(9-17)24-16-29-25-23(24)11-20(14-28-25)19-10-21(15-27-13-19)30-33(31,32)22-7-2-1-3-8-22/h1-11,13-16,30H,(H,28,29)
InChIKeyXGGVVWAAMVIBHH-UHFFFAOYSA-N
XLogP4.96
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide (CID 50925577) is N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide is N#Cc1cccc(-c2c[nH]c3ncc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc23)c1.
What is the InChIKey of N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is XGGVVWAAMVIBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O2S/c26-12-17-5-4-6-18(9-17)24-16-29-25-23(24)11-20(14-28-25)19-10-21(15-27-13-19)30-33(31,32)22-7-2-1-3-8-22/h1-11,13-16,30H,(H,28,29).
What are the key properties of N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 451.51 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 50925577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).