N-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide

C22H15ClN6O2S — CID 164619422

IUPACN-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nncc(-n4ccnc4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C22H15ClN6O2S/c23-22-20(28-32(30,31)17-4-2-1-3-5-17)11-16(12-25-22)15-6-7-19-18(10-15)21(13-26-27-19)29-9-8-24-14-29/h1-14,28H
InChIKeyQKUMTMOJNZWMQU-UHFFFAOYSA-N
MW462.92 g/mol
LogP4.33
Rot. Bonds5

About N-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide

N-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 164619422) has the molecular formula C22H15ClN6O2S and a molecular weight of 462.92 g/mol. Its IUPAC name is N-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID164619422
Molecular FormulaC22H15ClN6O2S
Molecular Weight462.92 g/mol
Exact Mass462.07
IUPAC NameN-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nncc(-n4ccnc4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C22H15ClN6O2S/c23-22-20(28-32(30,31)17-4-2-1-3-5-17)11-16(12-25-22)15-6-7-19-18(10-15)21(13-26-27-19)29-9-8-24-14-29/h1-14,28H
InChIKeyQKUMTMOJNZWMQU-UHFFFAOYSA-N
XLogP4.33
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.92
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 164619422) is N-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3nncc(-n4ccnc4)c3c2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is QKUMTMOJNZWMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN6O2S/c23-22-20(28-32(30,31)17-4-2-1-3-5-17)11-16(12-25-22)15-6-7-19-18(10-15)21(13-26-27-19)29-9-8-24-14-29/h1-14,28H.
What are the key properties of N-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 462.92 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-imidazol-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164619422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).