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

C20H15ClN4O3S — CID 164609149

IUPACN-[2-chloro-5-(4-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1cnnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc12
InChIInChI=1S/C20H15ClN4O3S/c1-28-19-12-23-24-17-8-7-13(9-16(17)19)14-10-18(20(21)22-11-14)25-29(26,27)15-5-3-2-4-6-15/h2-12,25H,1H3
InChIKeyGXTQVCIYSBRTME-UHFFFAOYSA-N
MW426.89 g/mol
LogP4.15
Rot. Bonds5

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

N-[2-chloro-5-(4-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 164609149) has the molecular formula C20H15ClN4O3S and a molecular weight of 426.89 g/mol. Its IUPAC name is N-[2-chloro-5-(4-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID164609149
Molecular FormulaC20H15ClN4O3S
Molecular Weight426.89 g/mol
Exact Mass426.06
IUPAC NameN-[2-chloro-5-(4-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1cnnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc12
InChIInChI=1S/C20H15ClN4O3S/c1-28-19-12-23-24-17-8-7-13(9-16(17)19)14-10-18(20(21)22-11-14)25-29(26,27)15-5-3-2-4-6-15/h2-12,25H,1H3
InChIKeyGXTQVCIYSBRTME-UHFFFAOYSA-N
XLogP4.15
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 54.15
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-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(4-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 164609149) is N-[2-chloro-5-(4-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(4-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(4-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is COc1cnnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc12.
What is the InChIKey of N-[2-chloro-5-(4-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is GXTQVCIYSBRTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3S/c1-28-19-12-23-24-17-8-7-13(9-16(17)19)14-10-18(20(21)22-11-14)25-29(26,27)15-5-3-2-4-6-15/h2-12,25H,1H3.
What are the key properties of N-[2-chloro-5-(4-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(4-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 426.89 g/mol, XLogP of 4.15, 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-methoxycinnolin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164609149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).