2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide

C24H22N2O6S — CID 168942513

IUPAC2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide
SMILESCOc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(-c3ccccc3)c3c(c12)OCCC3
InChIInChI=1S/C24H22N2O6S/c1-29-18-11-6-12-19(30-2)23(18)33(27,28)26-24-21-20(32-25-24)14-17(15-8-4-3-5-9-15)16-10-7-13-31-22(16)21/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H,25,26)
InChIKeyVWDAWCBPOODBJV-UHFFFAOYSA-N
MW466.52 g/mol
LogP4.64
Rot. Bonds6

About 2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide

2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide (PubChem CID 168942513) has the molecular formula C24H22N2O6S and a molecular weight of 466.52 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide
PubChem CID168942513
Molecular FormulaC24H22N2O6S
Molecular Weight466.52 g/mol
Exact Mass466.12
IUPAC Name2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide
SMILESCOc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(-c3ccccc3)c3c(c12)OCCC3
InChIInChI=1S/C24H22N2O6S/c1-29-18-11-6-12-19(30-2)23(18)33(27,28)26-24-21-20(32-25-24)14-17(15-8-4-3-5-9-15)16-10-7-13-31-22(16)21/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H,25,26)
InChIKeyVWDAWCBPOODBJV-UHFFFAOYSA-N
XLogP4.64
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide?
The IUPAC name of 2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide (CID 168942513) is 2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide?
The canonical SMILES for 2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide is COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(-c3ccccc3)c3c(c12)OCCC3.
What is the InChIKey of 2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide?
The InChIKey is VWDAWCBPOODBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6S/c1-29-18-11-6-12-19(30-2)23(18)33(27,28)26-24-21-20(32-25-24)14-17(15-8-4-3-5-9-15)16-10-7-13-31-22(16)21/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H,25,26).
What are the key properties of 2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide?
2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide has a molecular weight of 466.52 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide is sourced from PubChem (CID 168942513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).