3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine

C24H19NO6S — CID 2134468

IUPAC3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine
SMILESCOc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccc4c(c3)OCCO4)oc12
InChIInChI=1S/C24H19NO6S/c1-28-20-9-5-6-16-14-22(32(26,27)18-7-3-2-4-8-18)24(31-23(16)20)25-17-10-11-19-21(15-17)30-13-12-29-19/h2-11,14-15H,12-13H2,1H3/b25-24-
InChIKeyIFWPBZHOEJBMNP-IZHYLOQSSA-N
MW449.48 g/mol
LogP4.28
Rot. Bonds4

About 3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine

3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine (PubChem CID 2134468) has the molecular formula C24H19NO6S and a molecular weight of 449.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine
PubChem CID2134468
Molecular FormulaC24H19NO6S
Molecular Weight449.48 g/mol
Exact Mass449.09
IUPAC Name3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine
SMILESCOc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccc4c(c3)OCCO4)oc12
InChIInChI=1S/C24H19NO6S/c1-28-20-9-5-6-16-14-22(32(26,27)18-7-3-2-4-8-18)24(31-23(16)20)25-17-10-11-19-21(15-17)30-13-12-29-19/h2-11,14-15H,12-13H2,1H3/b25-24-
InChIKeyIFWPBZHOEJBMNP-IZHYLOQSSA-N
XLogP4.28
TPSA87.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine?
The IUPAC name of 3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine (CID 2134468) is 3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine?
The canonical SMILES for 3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine is COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccc4c(c3)OCCO4)oc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine?
The InChIKey is IFWPBZHOEJBMNP-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H19NO6S/c1-28-20-9-5-6-16-14-22(32(26,27)18-7-3-2-4-8-18)24(31-23(16)20)25-17-10-11-19-21(15-17)30-13-12-29-19/h2-11,14-15H,12-13H2,1H3/b25-24-.
What are the key properties of 3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine?
3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine has a molecular weight of 449.48 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine is sourced from PubChem (CID 2134468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).