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

C23H20ClN5O3S — CID 156767718

IUPACN-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nncc(N4CCOCC4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C23H20ClN5O3S/c24-23-21(28-33(30,31)18-4-2-1-3-5-18)13-17(14-25-23)16-6-7-20-19(12-16)22(15-26-27-20)29-8-10-32-11-9-29/h1-7,12-15,28H,8-11H2
InChIKeyLXWMLQCBWUVOFP-UHFFFAOYSA-N
MW481.97 g/mol
LogP3.98
Rot. Bonds5

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

N-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 156767718) has the molecular formula C23H20ClN5O3S and a molecular weight of 481.97 g/mol. Its IUPAC name is N-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID156767718
Molecular FormulaC23H20ClN5O3S
Molecular Weight481.97 g/mol
Exact Mass481.10
IUPAC NameN-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nncc(N4CCOCC4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C23H20ClN5O3S/c24-23-21(28-33(30,31)18-4-2-1-3-5-18)13-17(14-25-23)16-6-7-20-19(12-16)22(15-26-27-20)29-8-10-32-11-9-29/h1-7,12-15,28H,8-11H2
InChIKeyLXWMLQCBWUVOFP-UHFFFAOYSA-N
XLogP3.98
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.97
LogP ≤ 53.98
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-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 156767718) is N-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3nncc(N4CCOCC4)c3c2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is LXWMLQCBWUVOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O3S/c24-23-21(28-33(30,31)18-4-2-1-3-5-18)13-17(14-25-23)16-6-7-20-19(12-16)22(15-26-27-20)29-8-10-32-11-9-29/h1-7,12-15,28H,8-11H2.
What are the key properties of N-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 481.97 g/mol, XLogP of 3.98, 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-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 156767718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).