3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine

C22H15Cl2NO4S — CID 46255982

IUPAC3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine
SMILESCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C22H15Cl2NO4S/c1-28-20-10-8-16(13-18(20)24)25-22-21(30(26,27)17-5-3-2-4-6-17)12-14-11-15(23)7-9-19(14)29-22/h2-13H,1H3/b25-22-
InChIKeyYPUPRHCMNVBXCT-LVWGJNHUSA-N
MW460.34 g/mol
LogP5.81
Rot. Bonds4

About 3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine

3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine (PubChem CID 46255982) has the molecular formula C22H15Cl2NO4S and a molecular weight of 460.34 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine
PubChem CID46255982
Molecular FormulaC22H15Cl2NO4S
Molecular Weight460.34 g/mol
Exact Mass459.01
IUPAC Name3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine
SMILESCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C22H15Cl2NO4S/c1-28-20-10-8-16(13-18(20)24)25-22-21(30(26,27)17-5-3-2-4-6-17)12-14-11-15(23)7-9-19(14)29-22/h2-13H,1H3/b25-22-
InChIKeyYPUPRHCMNVBXCT-LVWGJNHUSA-N
XLogP5.81
TPSA68.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.34
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-8-methoxychromen-2-imine
CID 2134475
(Z)-3-chloro-4-fluoro-N-(3-(phenylsulfonyl)-2H-chromen-2-ylidene)aniline
CID 46255940
(2Z)-6-Chloro-3-(4-methylbenzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]-2H-chromen-2-imine
CID 46255994
1-[6-Chloro-2-(4-methylsulfonylphenyl)iminochromen-3-yl]ethanethione
CID 89402660
4-[4-[4-(4-Aminophenoxy)-3-chloro-5-methylphenyl]sulfonyl-2-chloro-6-methylphenoxy]aniline
CID 139693400
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylchromen-4-imine
CID 1631241
[4-[(6-Chloro-2-phenylchromen-4-ylidene)amino]phenyl] benzenesulfonate
CID 1670954
[4-[(6-Chloro-2-phenylchromen-4-ylidene)amino]phenyl] 4-methylbenzenesulfonate
CID 1670955
(Z)-3-chloro-4-methyl-N-(3-tosyl-2H-chromen-2-ylidene)aniline
CID 2134381
6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
CID 2134387
(Z)-4-methoxy-N-(3-tosyl-2H-chromen-2-ylidene)aniline
CID 2134442
(Z)-4-chloro-N-(3-tosyl-2H-chromen-2-ylidene)aniline
CID 2134445

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine?
The IUPAC name of 3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine (CID 46255982) is 3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine.
What is the SMILES notation for 3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine?
The canonical SMILES for 3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine is COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine?
The InChIKey is YPUPRHCMNVBXCT-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H15Cl2NO4S/c1-28-20-10-8-16(13-18(20)24)25-22-21(30(26,27)17-5-3-2-4-6-17)12-14-11-15(23)7-9-19(14)29-22/h2-13H,1H3/b25-22-.
What are the key properties of 3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine?
3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine has a molecular weight of 460.34 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-chloro-N-(3-chloro-4-methoxyphenyl)chromen-2-imine is sourced from PubChem (CID 46255982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).