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

C24H16ClN5O2S — CID 164620024

IUPACN-[2-chloro-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nncc(-c4ccncc4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C24H16ClN5O2S/c25-24-23(30-33(31,32)19-4-2-1-3-5-19)13-18(14-27-24)17-6-7-22-20(12-17)21(15-28-29-22)16-8-10-26-11-9-16/h1-15,30H
InChIKeyQBNCLHVZCGFCOS-UHFFFAOYSA-N
MW473.95 g/mol
LogP5.21
Rot. Bonds5

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

N-[2-chloro-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 164620024) has the molecular formula C24H16ClN5O2S and a molecular weight of 473.95 g/mol. Its IUPAC name is N-[2-chloro-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID164620024
Molecular FormulaC24H16ClN5O2S
Molecular Weight473.95 g/mol
Exact Mass473.07
IUPAC NameN-[2-chloro-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nncc(-c4ccncc4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C24H16ClN5O2S/c25-24-23(30-33(31,32)19-4-2-1-3-5-19)13-18(14-27-24)17-6-7-22-20(12-17)21(15-28-29-22)16-8-10-26-11-9-16/h1-15,30H
InChIKeyQBNCLHVZCGFCOS-UHFFFAOYSA-N
XLogP5.21
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.95
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 164620024) is N-[2-chloro-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3nncc(-c4ccncc4)c3c2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is QBNCLHVZCGFCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5O2S/c25-24-23(30-33(31,32)19-4-2-1-3-5-19)13-18(14-27-24)17-6-7-22-20(12-17)21(15-28-29-22)16-8-10-26-11-9-16/h1-15,30H.
What are the key properties of N-[2-chloro-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 473.95 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164620024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).