N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide

C26H19ClN4O3S — CID 59613730

IUPACN-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
SMILESO=c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc2n1Cc1ccccc1
InChIInChI=1S/C26H19ClN4O3S/c27-26-23(30-35(33,34)21-9-5-2-6-10-21)13-20(15-29-26)19-11-12-22-24(14-19)31(25(32)16-28-22)17-18-7-3-1-4-8-18/h1-16,30H,17H2
InChIKeyFZNNRDZSLKYFIO-UHFFFAOYSA-N
MW502.98 g/mol
LogP4.96
Rot. Bonds6

About N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide

N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide (PubChem CID 59613730) has the molecular formula C26H19ClN4O3S and a molecular weight of 502.98 g/mol. Its IUPAC name is N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
PubChem CID59613730
Molecular FormulaC26H19ClN4O3S
Molecular Weight502.98 g/mol
Exact Mass502.09
IUPAC NameN-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
SMILESO=c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc2n1Cc1ccccc1
InChIInChI=1S/C26H19ClN4O3S/c27-26-23(30-35(33,34)21-9-5-2-6-10-21)13-20(15-29-26)19-11-12-22-24(14-19)31(25(32)16-28-22)17-18-7-3-1-4-8-18/h1-16,30H,17H2
InChIKeyFZNNRDZSLKYFIO-UHFFFAOYSA-N
XLogP4.96
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.98
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide (CID 59613730) is N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide is O=c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc2n1Cc1ccccc1.
What is the InChIKey of N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide?
The InChIKey is FZNNRDZSLKYFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O3S/c27-26-23(30-35(33,34)21-9-5-2-6-10-21)13-20(15-29-26)19-11-12-22-24(14-19)31(25(32)16-28-22)17-18-7-3-1-4-8-18/h1-16,30H,17H2.
What are the key properties of N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide?
N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide has a molecular weight of 502.98 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 59613730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).