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

C24H20ClNO4S — CID 2134385

IUPACN-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCOc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc(C)c(Cl)c3)oc12
InChIInChI=1S/C24H20ClNO4S/c1-15-7-11-19(12-8-15)31(27,28)22-13-17-5-4-6-21(29-3)23(17)30-24(22)26-18-10-9-16(2)20(25)14-18/h4-14H,1-3H3/b26-24-
InChIKeyQCDFIROHXHGCAG-LCUIJRPUSA-N
MW453.95 g/mol
LogP5.78
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine (PubChem CID 2134385) has the molecular formula C24H20ClNO4S and a molecular weight of 453.95 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine
PubChem CID2134385
Molecular FormulaC24H20ClNO4S
Molecular Weight453.95 g/mol
Exact Mass453.08
IUPAC NameN-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCOc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc(C)c(Cl)c3)oc12
InChIInChI=1S/C24H20ClNO4S/c1-15-7-11-19(12-8-15)31(27,28)22-13-17-5-4-6-21(29-3)23(17)30-24(22)26-18-10-9-16(2)20(25)14-18/h4-14H,1-3H3/b26-24-
InChIKeyQCDFIROHXHGCAG-LCUIJRPUSA-N
XLogP5.78
TPSA68.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.95
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine (CID 2134385) is N-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine is COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc(C)c(Cl)c3)oc12.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine?
The InChIKey is QCDFIROHXHGCAG-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H20ClNO4S/c1-15-7-11-19(12-8-15)31(27,28)22-13-17-5-4-6-21(29-3)23(17)30-24(22)26-18-10-9-16(2)20(25)14-18/h4-14H,1-3H3/b26-24-.
What are the key properties of N-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine?
N-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine has a molecular weight of 453.95 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine is sourced from PubChem (CID 2134385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).