N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine

C24H21NO5S — CID 2134451

IUPACN-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCOc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H21NO5S/c1-16-8-11-19(12-9-16)31(26,27)23-14-17-6-4-5-7-20(17)30-24(23)25-18-10-13-21(28-2)22(15-18)29-3/h4-15H,1-3H3/b25-24-
InChIKeyZMHQKFYOJJWQMP-IZHYLOQSSA-N
MW435.50 g/mol
LogP4.82
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine

N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine (PubChem CID 2134451) has the molecular formula C24H21NO5S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
PubChem CID2134451
Molecular FormulaC24H21NO5S
Molecular Weight435.50 g/mol
Exact Mass435.11
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCOc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H21NO5S/c1-16-8-11-19(12-9-16)31(26,27)23-14-17-6-4-5-7-20(17)30-24(23)25-18-10-13-21(28-2)22(15-18)29-3/h4-15H,1-3H3/b25-24-
InChIKeyZMHQKFYOJJWQMP-IZHYLOQSSA-N
XLogP4.82
TPSA78.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine (CID 2134451) is N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine is COc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The InChIKey is ZMHQKFYOJJWQMP-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H21NO5S/c1-16-8-11-19(12-9-16)31(26,27)23-14-17-6-4-5-7-20(17)30-24(23)25-18-10-13-21(28-2)22(15-18)29-3/h4-15H,1-3H3/b25-24-.
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine has a molecular weight of 435.50 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine is sourced from PubChem (CID 2134451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).