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

C23H21ClN6O2S — CID 164620526

IUPACN-[2-chloro-5-(4-piperazin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nncc(N4CCNCC4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C23H21ClN6O2S/c24-23-21(29-33(31,32)18-4-2-1-3-5-18)13-17(14-26-23)16-6-7-20-19(12-16)22(15-27-28-20)30-10-8-25-9-11-30/h1-7,12-15,25,29H,8-11H2
InChIKeyQIWKQWGDKAHMQB-UHFFFAOYSA-N
MW480.98 g/mol
LogP3.56
Rot. Bonds5

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

N-[2-chloro-5-(4-piperazin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 164620526) has the molecular formula C23H21ClN6O2S and a molecular weight of 480.98 g/mol. Its IUPAC name is N-[2-chloro-5-(4-piperazin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-piperazin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID164620526
Molecular FormulaC23H21ClN6O2S
Molecular Weight480.98 g/mol
Exact Mass480.11
IUPAC NameN-[2-chloro-5-(4-piperazin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nncc(N4CCNCC4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C23H21ClN6O2S/c24-23-21(29-33(31,32)18-4-2-1-3-5-18)13-17(14-26-23)16-6-7-20-19(12-16)22(15-27-28-20)30-10-8-25-9-11-30/h1-7,12-15,25,29H,8-11H2
InChIKeyQIWKQWGDKAHMQB-UHFFFAOYSA-N
XLogP3.56
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 53.56
H-Bond Donors ≤ 52
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-piperazin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(4-piperazin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 164620526) is N-[2-chloro-5-(4-piperazin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(4-piperazin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(4-piperazin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3nncc(N4CCNCC4)c3c2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(4-piperazin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is QIWKQWGDKAHMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O2S/c24-23-21(29-33(31,32)18-4-2-1-3-5-18)13-17(14-26-23)16-6-7-20-19(12-16)22(15-27-28-20)30-10-8-25-9-11-30/h1-7,12-15,25,29H,8-11H2.
What are the key properties of N-[2-chloro-5-(4-piperazin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(4-piperazin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 480.98 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-piperazin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164620526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).