N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide

C24H17N5O2S — CID 68508597

IUPACN-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cccnc4)nc3c2)c1)c1ccccc1
InChIInChI=1S/C24H17N5O2S/c30-32(31,21-6-2-1-3-7-21)29-20-11-19(14-26-15-20)17-8-9-22-23(12-17)28-24(16-27-22)18-5-4-10-25-13-18/h1-16,29H
InChIKeyKCHZEIZKVHCLHU-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.55
Rot. Bonds5

About N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide

N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 68508597) has the molecular formula C24H17N5O2S and a molecular weight of 439.50 g/mol. Its IUPAC name is N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID68508597
Molecular FormulaC24H17N5O2S
Molecular Weight439.50 g/mol
Exact Mass439.11
IUPAC NameN-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cccnc4)nc3c2)c1)c1ccccc1
InChIInChI=1S/C24H17N5O2S/c30-32(31,21-6-2-1-3-7-21)29-20-11-19(14-26-15-20)17-8-9-22-23(12-17)28-24(16-27-22)18-5-4-10-25-13-18/h1-16,29H
InChIKeyKCHZEIZKVHCLHU-UHFFFAOYSA-N
XLogP4.55
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 68508597) is N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cccnc4)nc3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is KCHZEIZKVHCLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2S/c30-32(31,21-6-2-1-3-7-21)29-20-11-19(14-26-15-20)17-8-9-22-23(12-17)28-24(16-27-22)18-5-4-10-25-13-18/h1-16,29H.
What are the key properties of N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 439.50 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 68508597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).