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

C23H17Cl2NO4S — CID 46255995

IUPAC6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C23H17Cl2NO4S/c1-14-3-7-18(8-4-14)31(27,28)22-12-15-11-16(24)5-9-20(15)30-23(22)26-17-6-10-21(29-2)19(25)13-17/h3-13H,1-2H3/b26-23-
InChIKeySHLAMRJPPFWFIR-RWEWTDSWSA-N
MW474.37 g/mol
LogP6.12
Rot. Bonds4

About 6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine

6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine (PubChem CID 46255995) has the molecular formula C23H17Cl2NO4S and a molecular weight of 474.37 g/mol. Its IUPAC name is 6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine.

Molecular Properties

Compound Name6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
PubChem CID46255995
Molecular FormulaC23H17Cl2NO4S
Molecular Weight474.37 g/mol
Exact Mass473.03
IUPAC Name6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C23H17Cl2NO4S/c1-14-3-7-18(8-4-14)31(27,28)22-12-15-11-16(24)5-9-20(15)30-23(22)26-17-6-10-21(29-2)19(25)13-17/h3-13H,1-2H3/b26-23-
InChIKeySHLAMRJPPFWFIR-RWEWTDSWSA-N
XLogP6.12
TPSA68.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.37
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The IUPAC name of 6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine (CID 46255995) is 6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine.
What is the SMILES notation for 6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The canonical SMILES for 6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine is COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of 6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The InChIKey is SHLAMRJPPFWFIR-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H17Cl2NO4S/c1-14-3-7-18(8-4-14)31(27,28)22-12-15-11-16(24)5-9-20(15)30-23(22)26-17-6-10-21(29-2)19(25)13-17/h3-13H,1-2H3/b26-23-.
What are the key properties of 6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine has a molecular weight of 474.37 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine is sourced from PubChem (CID 46255995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).