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

C24H20ClNO5S — CID 2134387

IUPAC6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C24H20ClNO5S/c1-15-4-8-19(9-5-15)32(27,28)23-13-16-12-17(25)6-11-21(16)31-24(23)26-20-10-7-18(29-2)14-22(20)30-3/h4-14H,1-3H3/b26-24-
InChIKeyVFNUPRJBQRLLSA-LCUIJRPUSA-N
MW469.95 g/mol
LogP5.48
Rot. Bonds5

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

6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine (PubChem CID 2134387) has the molecular formula C24H20ClNO5S and a molecular weight of 469.95 g/mol. Its IUPAC name is 6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine.

Molecular Properties

Compound Name6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
PubChem CID2134387
Molecular FormulaC24H20ClNO5S
Molecular Weight469.95 g/mol
Exact Mass469.08
IUPAC Name6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C24H20ClNO5S/c1-15-4-8-19(9-5-15)32(27,28)23-13-16-12-17(25)6-11-21(16)31-24(23)26-20-10-7-18(29-2)14-22(20)30-3/h4-14H,1-3H3/b26-24-
InChIKeyVFNUPRJBQRLLSA-LCUIJRPUSA-N
XLogP5.48
TPSA78.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.95
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The IUPAC name of 6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine (CID 2134387) is 6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine.
What is the SMILES notation for 6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The canonical SMILES for 6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine is COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of 6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The InChIKey is VFNUPRJBQRLLSA-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H20ClNO5S/c1-15-4-8-19(9-5-15)32(27,28)23-13-16-12-17(25)6-11-21(16)31-24(23)26-20-10-7-18(29-2)14-22(20)30-3/h4-14H,1-3H3/b26-24-.
What are the key properties of 6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine has a molecular weight of 469.95 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine is sourced from PubChem (CID 2134387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).