N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine

C24H19NO5S — CID 2134454

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C24H19NO5S/c1-16-6-9-19(10-7-16)31(26,27)23-14-17-4-2-3-5-20(17)30-24(23)25-18-8-11-21-22(15-18)29-13-12-28-21/h2-11,14-15H,12-13H2,1H3/b25-24-
InChIKeyHAAHDJUNRQKFGH-IZHYLOQSSA-N
MW433.49 g/mol
LogP4.58
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine (PubChem CID 2134454) has the molecular formula C24H19NO5S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine
PubChem CID2134454
Molecular FormulaC24H19NO5S
Molecular Weight433.49 g/mol
Exact Mass433.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C24H19NO5S/c1-16-6-9-19(10-7-16)31(26,27)23-14-17-4-2-3-5-20(17)30-24(23)25-18-8-11-21-22(15-18)29-13-12-28-21/h2-11,14-15H,12-13H2,1H3/b25-24-
InChIKeyHAAHDJUNRQKFGH-IZHYLOQSSA-N
XLogP4.58
TPSA78.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine (CID 2134454) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine is Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The InChIKey is HAAHDJUNRQKFGH-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H19NO5S/c1-16-6-9-19(10-7-16)31(26,27)23-14-17-4-2-3-5-20(17)30-24(23)25-18-8-11-21-22(15-18)29-13-12-28-21/h2-11,14-15H,12-13H2,1H3/b25-24-.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine has a molecular weight of 433.49 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine is sourced from PubChem (CID 2134454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).