N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine

C23H19NO4S — CID 2134442

IUPACN-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCOc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H19NO4S/c1-16-7-13-20(14-8-16)29(25,26)22-15-17-5-3-4-6-21(17)28-23(22)24-18-9-11-19(27-2)12-10-18/h3-15H,1-2H3/b24-23-
InChIKeyDRZOARFHADFDMP-VHXPQNKSSA-N
MW405.48 g/mol
LogP4.82
Rot. Bonds4

About N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine

N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine (PubChem CID 2134442) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
PubChem CID2134442
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC NameN-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCOc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H19NO4S/c1-16-7-13-20(14-8-16)29(25,26)22-15-17-5-3-4-6-21(17)28-23(22)24-18-9-11-19(27-2)12-10-18/h3-15H,1-2H3/b24-23-
InChIKeyDRZOARFHADFDMP-VHXPQNKSSA-N
XLogP4.82
TPSA68.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine
CID 2134454
3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methoxychromen-2-imine
CID 2134468
4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 4671033
(2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine
CID 9551249
m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-
CID 201348
N-(4-(benzyloxy)phenyl)-4-methylbenzenesulfonamide
CID 3955766
4-methyl-N-[4-[(3-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 71495544
N-[4-[(3-methoxyphenyl)methoxy]phenyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 71495545
2-(4-Isothiocyanatophenoxy)Ethyl Tosylate
CID 10360447
(2Z)-3-(Benzenesulfonyl)-N-phenyl-2H-chromen-2-imine
CID 6622390
(Z)-N-(8-methoxy-3-tosyl-2H-chromen-2-ylidene)-2,3-dihydrobenzo[b][1,4]dioxin-6-amine
CID 18592578
(Z)-2-fluoro-N-(3-(phenylsulfonyl)-2H-chromen-2-ylidene)aniline
CID 18592572

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The IUPAC name of N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine (CID 2134442) is N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The canonical SMILES for N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine is COc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The InChIKey is DRZOARFHADFDMP-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-16-7-13-20(14-8-16)29(25,26)22-15-17-5-3-4-6-21(17)28-23(22)24-18-9-11-19(27-2)12-10-18/h3-15H,1-2H3/b24-23-.
What are the key properties of N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine has a molecular weight of 405.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine is sourced from PubChem (CID 2134442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).