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

C24H22ClN5O2S — CID 164626558

IUPACN-[2-chloro-5-(4-piperidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nncc(N4CCCCC4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C24H22ClN5O2S/c25-24-22(29-33(31,32)19-7-3-1-4-8-19)14-18(15-26-24)17-9-10-21-20(13-17)23(16-27-28-21)30-11-5-2-6-12-30/h1,3-4,7-10,13-16,29H,2,5-6,11-12H2
InChIKeyJCXHJZJTKTWCDL-UHFFFAOYSA-N
MW479.99 g/mol
LogP5.14
Rot. Bonds5

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

N-[2-chloro-5-(4-piperidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 164626558) has the molecular formula C24H22ClN5O2S and a molecular weight of 479.99 g/mol. Its IUPAC name is N-[2-chloro-5-(4-piperidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-piperidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID164626558
Molecular FormulaC24H22ClN5O2S
Molecular Weight479.99 g/mol
Exact Mass479.12
IUPAC NameN-[2-chloro-5-(4-piperidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nncc(N4CCCCC4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C24H22ClN5O2S/c25-24-22(29-33(31,32)19-7-3-1-4-8-19)14-18(15-26-24)17-9-10-21-20(13-17)23(16-27-28-21)30-11-5-2-6-12-30/h1,3-4,7-10,13-16,29H,2,5-6,11-12H2
InChIKeyJCXHJZJTKTWCDL-UHFFFAOYSA-N
XLogP5.14
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.99
LogP ≤ 55.14
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-piperidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(4-piperidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 164626558) is N-[2-chloro-5-(4-piperidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(4-piperidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(4-piperidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3nncc(N4CCCCC4)c3c2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(4-piperidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is JCXHJZJTKTWCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2S/c25-24-22(29-33(31,32)19-7-3-1-4-8-19)14-18(15-26-24)17-9-10-21-20(13-17)23(16-27-28-21)30-11-5-2-6-12-30/h1,3-4,7-10,13-16,29H,2,5-6,11-12H2.
What are the key properties of N-[2-chloro-5-(4-piperidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(4-piperidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 479.99 g/mol, XLogP of 5.14, 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-piperidin-1-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164626558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).