N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine

C25H23NO6S — CID 2134853

IUPACN-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCOc1ccc(/N=c2\oc3c(OC)cccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H23NO6S/c1-16-8-11-19(12-9-16)33(27,28)23-14-17-6-5-7-21(30-3)24(17)32-25(23)26-18-10-13-20(29-2)22(15-18)31-4/h5-15H,1-4H3/b26-25-
InChIKeyUKQGOUAGTYFSFX-QPLCGJKRSA-N
MW465.53 g/mol
LogP4.83
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine

N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine (PubChem CID 2134853) has the molecular formula C25H23NO6S and a molecular weight of 465.53 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine
PubChem CID2134853
Molecular FormulaC25H23NO6S
Molecular Weight465.53 g/mol
Exact Mass465.12
IUPAC NameN-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCOc1ccc(/N=c2\oc3c(OC)cccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H23NO6S/c1-16-8-11-19(12-9-16)33(27,28)23-14-17-6-5-7-21(30-3)24(17)32-25(23)26-18-10-13-20(29-2)22(15-18)31-4/h5-15H,1-4H3/b26-25-
InChIKeyUKQGOUAGTYFSFX-QPLCGJKRSA-N
XLogP4.83
TPSA87.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine
CID 2134385
N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
CID 2134451
3-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)-8-methoxychromen-2-imine
CID 2134478
6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
CID 46255995
8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4038165
3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine
CID 46255982
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one
CID 22425061
2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
CID 51366970
3-(3-chloro-4-fluorophenyl)sulfonyl-8-methoxychromen-2-one
CID 2135787
8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 2136071
(2Z)-8-methoxy-N-(3-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893598

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine (CID 2134853) is N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine is COc1ccc(/N=c2\oc3c(OC)cccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine?
The InChIKey is UKQGOUAGTYFSFX-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H23NO6S/c1-16-8-11-19(12-9-16)33(27,28)23-14-17-6-5-7-21(30-3)24(17)32-25(23)26-18-10-13-20(29-2)22(15-18)31-4/h5-15H,1-4H3/b26-25-.
What are the key properties of N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine?
N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine has a molecular weight of 465.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine is sourced from PubChem (CID 2134853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).