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

C25H18ClN5O2S — CID 156767711

IUPACN-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nncc(Nc4ccccc4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C25H18ClN5O2S/c26-25-23(31-34(32,33)20-9-5-2-6-10-20)14-18(15-27-25)17-11-12-22-21(13-17)24(16-28-30-22)29-19-7-3-1-4-8-19/h1-16,31H,(H,29,30)
InChIKeyYCZFQFWVTGHCED-UHFFFAOYSA-N
MW487.97 g/mol
LogP5.89
Rot. Bonds6

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

N-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide (PubChem CID 156767711) has the molecular formula C25H18ClN5O2S and a molecular weight of 487.97 g/mol. Its IUPAC name is N-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
PubChem CID156767711
Molecular FormulaC25H18ClN5O2S
Molecular Weight487.97 g/mol
Exact Mass487.09
IUPAC NameN-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nncc(Nc4ccccc4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C25H18ClN5O2S/c26-25-23(31-34(32,33)20-9-5-2-6-10-20)14-18(15-27-25)17-11-12-22-21(13-17)24(16-28-30-22)29-19-7-3-1-4-8-19/h1-16,31H,(H,29,30)
InChIKeyYCZFQFWVTGHCED-UHFFFAOYSA-N
XLogP5.89
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.97
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide (CID 156767711) is N-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3nncc(Nc4ccccc4)c3c2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide?
The InChIKey is YCZFQFWVTGHCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN5O2S/c26-25-23(31-34(32,33)20-9-5-2-6-10-20)14-18(15-27-25)17-11-12-22-21(13-17)24(16-28-30-22)29-19-7-3-1-4-8-19/h1-16,31H,(H,29,30).
What are the key properties of N-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide?
N-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide has a molecular weight of 487.97 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-anilinocinnolin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 156767711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).