N-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide

C20H15ClN4O3S — CID 164609550

IUPACN-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nncc(Cl)c3c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15ClN4O3S/c1-28-20-19(25-29(26,27)15-5-3-2-4-6-15)10-14(11-22-20)13-7-8-18-16(9-13)17(21)12-23-24-18/h2-12,25H,1H3
InChIKeyMVRHWVIZOYJOOG-UHFFFAOYSA-N
MW426.89 g/mol
LogP4.15
Rot. Bonds5

About N-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide

N-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide (PubChem CID 164609550) has the molecular formula C20H15ClN4O3S and a molecular weight of 426.89 g/mol. Its IUPAC name is N-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
PubChem CID164609550
Molecular FormulaC20H15ClN4O3S
Molecular Weight426.89 g/mol
Exact Mass426.06
IUPAC NameN-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nncc(Cl)c3c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15ClN4O3S/c1-28-20-19(25-29(26,27)15-5-3-2-4-6-15)10-14(11-22-20)13-7-8-18-16(9-13)17(21)12-23-24-18/h2-12,25H,1H3
InChIKeyMVRHWVIZOYJOOG-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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide (CID 164609550) is N-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3nncc(Cl)c3c2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The InChIKey is MVRHWVIZOYJOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3S/c1-28-20-19(25-29(26,27)15-5-3-2-4-6-15)10-14(11-22-20)13-7-8-18-16(9-13)17(21)12-23-24-18/h2-12,25H,1H3.
What are the key properties of N-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
N-[5-(4-chlorocinnolin-6-yl)-2-methoxy-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-[5-(4-chlorocinnolin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164609550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).