N-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide

C26H21N5O3S — CID 156767707

IUPACN-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nncc(Nc4ccccc4)c3c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C26H21N5O3S/c1-34-26-24(31-35(32,33)21-10-6-3-7-11-21)15-19(16-27-26)18-12-13-23-22(14-18)25(17-28-30-23)29-20-8-4-2-5-9-20/h2-17,31H,1H3,(H,29,30)
InChIKeyXUMOLAFNAXVXRJ-UHFFFAOYSA-N
MW483.55 g/mol
LogP5.24
Rot. Bonds7

About N-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide

N-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide (PubChem CID 156767707) has the molecular formula C26H21N5O3S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
PubChem CID156767707
Molecular FormulaC26H21N5O3S
Molecular Weight483.55 g/mol
Exact Mass483.14
IUPAC NameN-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nncc(Nc4ccccc4)c3c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C26H21N5O3S/c1-34-26-24(31-35(32,33)21-10-6-3-7-11-21)15-19(16-27-26)18-12-13-23-22(14-18)25(17-28-30-23)29-20-8-4-2-5-9-20/h2-17,31H,1H3,(H,29,30)
InChIKeyXUMOLAFNAXVXRJ-UHFFFAOYSA-N
XLogP5.24
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide (CID 156767707) is N-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3nncc(Nc4ccccc4)c3c2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The InChIKey is XUMOLAFNAXVXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3S/c1-34-26-24(31-35(32,33)21-10-6-3-7-11-21)15-19(16-27-26)18-12-13-23-22(14-18)25(17-28-30-23)29-20-8-4-2-5-9-20/h2-17,31H,1H3,(H,29,30).
What are the key properties of N-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
N-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide has a molecular weight of 483.55 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-anilinocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 156767707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).