N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide

C29H26N2O3S — CID 56926372

IUPACN-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide
SMILESCC1(C)C=Cc2nc(CN(c3ccccc3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2O1
InChIInChI=1S/C29H26N2O3S/c1-29(2)20-19-27-28(34-29)18-15-24(30-27)21-31(25-11-7-4-8-12-25)35(32,33)26-16-13-23(14-17-26)22-9-5-3-6-10-22/h3-20H,21H2,1-2H3
InChIKeyKXWGDCQGKWSTKK-UHFFFAOYSA-N
MW482.61 g/mol
LogP6.33
Rot. Bonds6

About N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide

N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide (PubChem CID 56926372) has the molecular formula C29H26N2O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide
PubChem CID56926372
Molecular FormulaC29H26N2O3S
Molecular Weight482.61 g/mol
Exact Mass482.17
IUPAC NameN-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide
SMILESCC1(C)C=Cc2nc(CN(c3ccccc3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2O1
InChIInChI=1S/C29H26N2O3S/c1-29(2)20-19-27-28(34-29)18-15-24(30-27)21-31(25-11-7-4-8-12-25)35(32,33)26-16-13-23(14-17-26)22-9-5-3-6-10-22/h3-20H,21H2,1-2H3
InChIKeyKXWGDCQGKWSTKK-UHFFFAOYSA-N
XLogP6.33
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide (CID 56926372) is N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide is CC1(C)C=Cc2nc(CN(c3ccccc3)S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2O1.
What is the InChIKey of N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide?
The InChIKey is KXWGDCQGKWSTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3S/c1-29(2)20-19-27-28(34-29)18-15-24(30-27)21-31(25-11-7-4-8-12-25)35(32,33)26-16-13-23(14-17-26)22-9-5-3-6-10-22/h3-20H,21H2,1-2H3.
What are the key properties of N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide?
N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide has a molecular weight of 482.61 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N,4-diphenylbenzenesulfonamide is sourced from PubChem (CID 56926372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).