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

C23H18ClNO3S — CID 2134381

IUPACN-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C23H18ClNO3S/c1-15-7-11-19(12-8-15)29(26,27)22-13-17-5-3-4-6-21(17)28-23(22)25-18-10-9-16(2)20(24)14-18/h3-14H,1-2H3/b25-23-
InChIKeyXVGXYRHWNJVQDC-BZZOAKBMSA-N
MW423.92 g/mol
LogP5.77
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine (PubChem CID 2134381) has the molecular formula C23H18ClNO3S and a molecular weight of 423.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
PubChem CID2134381
Molecular FormulaC23H18ClNO3S
Molecular Weight423.92 g/mol
Exact Mass423.07
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C23H18ClNO3S/c1-15-7-11-19(12-8-15)29(26,27)22-13-17-5-3-4-6-21(17)28-23(22)25-18-10-9-16(2)20(24)14-18/h3-14H,1-2H3/b25-23-
InChIKeyXVGXYRHWNJVQDC-BZZOAKBMSA-N
XLogP5.77
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.92
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine (CID 2134381) is N-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine is Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The InChIKey is XVGXYRHWNJVQDC-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H18ClNO3S/c1-15-7-11-19(12-8-15)29(26,27)22-13-17-5-3-4-6-21(17)28-23(22)25-18-10-9-16(2)20(24)14-18/h3-14H,1-2H3/b25-23-.
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
N-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine has a molecular weight of 423.92 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine is sourced from PubChem (CID 2134381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).